SCHEMBL1044845

SCHEMBL1044845

O=C1Cc2ccccc2N1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.55
NOTUM Q6P988 1/20 0.52
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
KMT2A Q03164 2/20 0.42
CASP3 P42574 1/20 0.42
CASP6 P55212 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HTR7 P34969 3/20 0.41
OPRM1 P35372 3/20 0.41
OPRK1 P41145 3/20 0.41
OPRL1 P41146 3/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
RNASEH1 O60930 1/20 0.41
CYP1A2 P05177 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL29648201 1.00 HPGD (0.55) HPGDNOTUMDDB1CRBNKMT2A
SCHEMBL28735599 0.98 HPGD (0.53) HPGDNOTUMDDB1CRBNKMT2A
SCHEMBL29765632 0.82 HPGD (0.59) HPGDNOTUMDDB1CRBNKMT2A
SCHEMBL432918 0.79 MEN1 (0.54) NOTUMKMT2ACYP1A2MEN1CYP2A6
SCHEMBL30722457 0.76 HPGD (0.49) HPGDNOTUMDDB1CRBNKMT2A
SCHEMBL30642159 0.76 HPGD (0.57) HPGDNOTUMDDB1CRBNKMT2A
SCHEMBL3641405 0.76 HPGD (0.57) HPGDNOTUMDDB1CRBNKMT2A
SCHEMBL1464486 0.76 HPGD (0.57) HPGDNOTUMDDB1CRBNKMT2A
SCHEMBL3195836 0.74 RNASEH1 (0.60) HPGDNOTUMDDB1CRBNKMT2A
SCHEMBL1462133 0.74 HPGD (0.55) HPGDNOTUMDDB1CRBNKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115960085-A Preparation method of fluoro-oxindole heterocyclic compound 杭州职业技术学院 2023-04-14 CN claimed
EP-2723336-B1 COMPOSITIONS FOR THE TREATMENT OF FRAGILE X SYNDROME CENTRE NAT RECH SCIENT (FR) 2020-04-08 EP claimed
CN-108383853-B A kind of donor material based on fluorine-containing Oxoindole and preparation method thereof and device 南京工业大学 2019-11-22 CN claimed
US-10435366-B2 Compositions for the treatment of Fragile X syndrome CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2019-10-08 US claimed
CN-110194833-A For causing the catalyst system of lactide ring-opening polymerisation and the preparation method of polylactic acid 中国科学技术大学 2019-09-03 CN claimed
US-10265300-B2 Methods of treating seizure disorders OVID THERAPEUTICS INC. (US) 2019-04-23 US claimed
US-20180243266-A1 METHODS OF TREATING SEIZURE DISORDERS OVID THERAPEUTICS INC. 2018-08-30 US claimed
WO-2018157046-A1 METHODS OF TREATING SEIZURE DISORDERS OVID THERAPEUTICS INC. (US) 2018-08-30 WO claimed
CN-104093715-B 4-(benzoimidazol-2-yl)-thiazole compounds and related aza derivatives 埃科特莱茵药品有限公司 2017-04-26 CN claimed
US-20140221450-A1 Compositions for the treatment of Fragile X syndrome CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2014-08-07 US claimed
EP-1330426-A4 SELECTIVE MAXI-K- POTASSIUM CHANNEL OPENERS FUNCTIONAL UNDER CONDITIONS OF HIGH INTRACELLULAR CALCIUM CONCENTRATION, METHODS AND USES THEREOF BRISTOL MYERS SQUIBB CO (US) 2005-09-14 EP claimed
US-20050043293-A1 Selective maxi-K potassium channel openers functional under conditions of high intracellular calcium concentration, methods and uses thereof GRIBKOFF VALENTIN K (US) 2005-02-24 US claimed
US-20040204498-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-10-14 US claimed
EP-1441722-A2 MODULATORS OF KCNQ POTASSIUM CHANNELS AND USE THEREOF IN TREATING MIGRAINE AND MECHANISTICALLY RELATED DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2004-08-04 EP claimed
WO-2004062613-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-07-29 WO claimed
EP-1330426-A1 SELECTIVE MAXI-K- POTASSIUM CHANNEL OPENERS FUNCTIONAL UNDER CONDITIONS OF HIGH INTRACELLULAR CALCIUM CONCENTRATION, METHODS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-30 EP claimed
WO-2002072088-A2 MODULATORS OF KCNQ POTASSIUM CHANNELS AND USE THEREOF IN TREATING MIGRAINE AND MECHANISTICALLY RELATED DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-09-19 WO claimed
US-20020128277-A1 Modulators of KCNQ potassium channels and use thereof in treating migraine and mechanistically related diseases BRISTOL-MYERS SQUIBB COMPANY 2002-09-12 US claimed
WO-2002030868-A1 SELECTIVE MAXI-K- POTASSIUM CHANNEL OPENERS FUNCTIONAL UNDER CONDITIONS OF HIGH INTRACELLULAR CALCIUM CONCENTRATION, METHODS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2002-04-18 WO claimed
US-20020045566-A1 Selective maxi-K potassium channel openers functional under conditions of high intracellular calcium concentration, methods and uses thereof BRISTOL-MYERS SQUIBB COMPANY 2002-04-18 US claimed

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

For each of this compound's patents that has machine-readable text (4 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-20020128277-A1 Modulators of KCNQ potassium channels and use thereof in treating migraine and mechanistically related diseases KCNQ5, KCNQ2, KCNQ1 HPGD 2724/4885NOTUM 2753/4885DDB1 3861/4885
US-20040204498-A1 HIV integrase inhibitors IMPDH1, TYMP, REV1 HPGD 2482/4885NOTUM 2523/4885DDB1 454/4885
US-10265300-B2 Methods of treating seizure disorders KCNJ2, HCN2, CACNA1I HPGD 1505/4885NOTUM 1731/4885DDB1 4567/4885
US-20180243266-A1 METHODS OF TREATING SEIZURE DISORDERS KCNJ2, HCN2, CACNA1I HPGD 1505/4885NOTUM 1731/4885DDB1 4567/4885

“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.