SCHEMBL238960

SCHEMBL238960

CC(Oc1cccnc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.58
GAA P10253 3/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
PKM P14618 1/20 0.53
CYP2C19 P33261 1/20 0.53
TDP1 Q9NUW8 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.46
TBXAS1 P24557 3/20 0.46
KMT2A Q03164 3/20 0.45
CHRNB4 P30926 2/20 0.44
CHRNA3 P32297 2/20 0.44
MAPK1 P28482 2/20 0.44
ALDH1A1 P00352 2/20 0.44
CHRNB2 P17787 1/20 0.44
CHRNA4 P43681 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
APP P05067 1/20 0.43
HCAR3 P49019 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Trifluoroacetic Acid SCHEMBL2418753 0.91 HTT (0.51) HTTGAACYP1A2CYP2C9PKM
SCHEMBL10002459 0.85 HTT (0.54) HTTGAASMN1; SMN2KMT2ACHRNB4
Pyridine SCHEMBL27489987 0.84 CYP1A2 (0.64) HTTGAACYP1A2CYP2C9PKM
SCHEMBL28632092 0.83 HTT (0.56) HTTGAASMN1; SMN2KMT2ACHRNB4
SCHEMBL1974134 0.81 GRM2 (0.53) HTTSMN1; SMN2KMT2AALDH1A1CHRNB2
SCHEMBL22289159 0.81 HTT (0.60) HTTGAACYP1A2CYP2C9TDP1
SCHEMBL2411539 0.80 HTT (0.49) HTTSMN1; SMN2KMT2ACHRNB4CHRNA3
SCHEMBL11068453 0.79 TBXAS1 (0.65) HTTGAACYP1A2CYP2C9PKM
SCHEMBL127395 0.79 CYP1A2 (0.78) GAACYP1A2CYP2C9PKMCYP2C19
SCHEMBL43054 0.79 CYP1A2 (0.78) GAACYP1A2CYP2C9PKMCYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11730714-B2 Compounds for the treatment of neuromuscular disorders NMD PHARMA A/S (DK) 2023-08-22 US disclosed
US-11730714-B2 Compounds for the treatment of neuromuscular disorders NMD PHARMA A/S (DK) 2023-08-22 US disclosed
US-11147788-B2 Compounds for the treatment of neuromuscular disorders NMD PHARMA A/S (DK) 2021-10-19 US disclosed
EP-3214086-B1 SUBSTITUTED DIHYDROPYRROLOPYRAZOLE COMPOUND UBE INDUSTRIES (JP) 2021-09-22 EP disclosed
US-10968238-B2 Substituted dihydropyrrolopyrazole compound UBE INDUSTRIES, LTD. (JP) 2021-04-06 US disclosed
US-10385028-B2 Compounds for the treatment of neuromuscular disorders NMD PHARMA A/S (DK) 2019-08-20 US disclosed
US-20190183834-A1 Compounds For The Treatment Of Neuromuscular Disorders NMD PHARMA A/S (DK) 2019-06-20 US disclosed
US-20190185409-A1 Compounds For The Treatment Of Neuromuscular Disorders NMD PHARMA APS (DK) 2019-06-20 US disclosed
US-20190183812-A1 Compounds For The Treatment Of Neuromuscular Disorders NMD PHARMA A/S (DK) 2019-06-20 US disclosed
US-20190183833-A1 Compounds For The Treatment Of Neuromuscular Disorders NMD PHARMA APS 2019-06-20 US disclosed
US-20120010410-A1 (2R)-1-(3-CHLORO-2-PYRAZINYL)-2-METHYLPIPERAZINE AND SALTS THEREOF BIOVITRUM AB, A SWEDEN CORPORATION 2012-01-12 US disclosed
US-20120004241-A1 SUCCINATE SALT OF (2R)-METHYL-1-PIPERAZINE BIOVITRUM AB, A SWEDEN CORPORATION 2012-01-05 US disclosed
US-8030316-B2 Malate salt of (2R)-methyl-1-{3-[2-(3-pyridinyloxy)ethoxy]-2-pyrazinyl}piperazine BIOVITRUM AB (PUBL) (SE) 2011-10-04 US disclosed
EP-1250340-B1 METHODS AND COMPOUNDS FOR INHIBITING MRP1 LILLY CO ELI (US) 2004-11-17 EP disclosed
US-20040176405-A1 Methods and compounds for inhibitting MRP1 KROIN JULIAN (US) 2004-09-09 US disclosed
US-6743794-B2 MULTIDRUG RESISTANCE PROTEIN; CANCER; 3-(9-CHLORO-3-METHYL-4-OXO-5H-ISOXAZOLO(4,3-C)QUINOLIN-5-YL)) CYCLOHEXYL)-2-PIPERIDYLACETAMIDE ELI LILLY AND COMPANY 2004-06-01 US disclosed
US-20030100576-A1 Methods and compounds for inhibiting mrp1 ELI LILLY AND COMPANY 2003-05-29 US disclosed
EP-1250340-A1 METHODS AND COMPOUNDS FOR INHIBITING MRP1 ELI LILLY AND COMPANY (US) 2002-10-23 EP disclosed
WO-2001046199-A1 METHODS AND COMPOUNDS FOR INHIBITING MRP1 ELI LILLY AND COMPANY (US) 2001-06-28 WO disclosed
US-4404020-A Certain esters of 2-[(2,6-dichloro-3-pyridyl)oxy]propionic acid, compositions containing same and their herbicidal properties CIBA-GEIGY CORPORATION (US) 1983-09-13 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11730714-B2 Compounds for the treatment of neuromuscular disorders RYR1, CACNB1, RYR2 HTT 1383/4885GAA 2463/4885CYP1A2 4681/4885
US-20190183834-A1 Compounds For The Treatment Of Neuromuscular Disorders RYR1, CACNB1, RYR2 HTT 1383/4885GAA 2463/4885CYP1A2 4681/4885
US-20190185409-A1 Compounds For The Treatment Of Neuromuscular Disorders CPT1B, CLCN2, CACNB1 HTT 1009/4885GAA 1056/4885CYP1A2 3724/4885
US-20190183812-A1 Compounds For The Treatment Of Neuromuscular Disorders RYR1, CACNB1, RYR2 HTT 1383/4885GAA 2463/4885CYP1A2 4681/4885
US-11147788-B2 Compounds for the treatment of neuromuscular disorders RYR1, CACNB1, RYR2 HTT 1383/4885GAA 2463/4885CYP1A2 4681/4885
US-10385028-B2 Compounds for the treatment of neuromuscular disorders RYR1, CACNB1, RYR2 HTT 1383/4885GAA 2463/4885CYP1A2 4681/4885
US-20040176405-A1 Methods and compounds for inhibitting MRP1 ABCC1, ABCB11, ABCB1 HTT 2502/4885GAA 763/4885CYP1A2 478/4885
US-20120004241-A1 SUCCINATE SALT OF (2R)-METHYL-1-PIPERAZINE SUCNR1, HTR5A, HTR2C HTT 89/4885GAA 3153/4885CYP1A2 335/4885
US-20190183833-A1 Compounds For The Treatment Of Neuromuscular Disorders RYR1, CACNB1, RYR2 HTT 1383/4885GAA 2463/4885CYP1A2 4681/4885
US-10968238-B2 Substituted dihydropyrrolopyrazole compound QDPR, CYP2D6, KCNJ11 HTT 2367/4885GAA 3619/4885CYP1A2 232/4885
US-20120010410-A1 (2R)-1-(3-CHLORO-2-PYRAZINYL)-2-METHYLPIPERAZINE AND SALTS THEREOF HTR2C, HTR5A, HTR2A HTT 222/4885GAA 3399/4885CYP1A2 40/4885
US-20030100576-A1 Methods and compounds for inhibiting mrp1 ABCC1, ABCB11, ABCB1 HTT 3022/4885GAA 806/4885CYP1A2 563/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.