SCHEMBL3518937

SCHEMBL3518937

O=c1[nH]ncn1-c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.62
DDB1 Q16531 1/20 0.48
CRBN Q96SW2 1/20 0.48
GAA P10253 2/20 0.45
GSK3A P49840 2/20 0.45
GSK3B P49841 2/20 0.45
HCAR1 Q9BXC0 1/20 0.44
GPR119 Q8TDV5 1/20 0.43
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MITF O75030 1/20 0.41
LMNA P02545 1/20 0.41
XDH P47989 1/20 0.39
PKM P14618 1/20 0.39
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
HPGD P15428 1/20 0.38
BLM P54132 1/20 0.38
TDP1 Q9NUW8 3/20 0.38

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
SCHEMBL4778468 0.81 HTT (0.51) HTTDDB1CRBNHCAR1GPR119
SCHEMBL8718367 0.81 HTT (0.51) HTTGPR119ALDH1A1SMN1; SMN2LMNA
SCHEMBL7028939 0.79 HTT (0.50) HTTHCAR1GPR119ALDH1A1PKM
SCHEMBL1618003 0.79 HTT (0.50) HTTHCAR1GPR119ALDH1A1SMN1; SMN2
SCHEMBL8718617 0.79 HTT (0.54) HTTHCAR1GPR119TDP1RAB9A
SCHEMBL8718822 0.79 HTT (0.50) HTTGAAGPR119ALDH1A1SMN1; SMN2
SCHEMBL792758 0.79 HTT (0.50) HTTGAAGSK3AGSK3BHCAR1
SCHEMBL17202641 0.79 HTT (0.46) HTTGPR119ALDH1A1SMN1; SMN2KDM4E
SCHEMBL6173722 0.78 RAB9A (0.60) GAASMN1; SMN2LMNAPKMCYP1A2
SCHEMBL1786748 0.77 HTT (0.60) HTTGAAGSK3AGSK3BALDH1A1

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119031913-A Purine and methods of use thereof 奇尼塔公司 2024-11-26 CN disclosed
US-8252810-B2 Bicycloamine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-08-28 US disclosed
US-8252810-B2 Bicycloamine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-08-28 US disclosed
US-8252810-B2 Bicycloamine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-08-28 US disclosed
US-7906548-B2 Methods for the use of inhibitors of cytosolic phospholipase A2 WYETH LLC (US) 2011-03-15 US disclosed
US-20100331310-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-12-30 US disclosed
US-20100331310-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-12-30 US disclosed
US-20100331310-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-12-30 US disclosed
EP-2241567-A1 BICYCLOAMINE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2010-10-20 EP disclosed
US-20100113443-A1 LIQUID FORMULATIONS OF PHOSPHOLIPASE ENZYME INHIBITORS WYETH (US) 2010-05-06 US disclosed
US-20100069385-A1 LIQUID FORMULATIONS OF PHOSPHOLIPASE ENZYME INHIBITORS WYETH (NJ) 2010-03-18 US disclosed
US-20100035957-A1 Methods for the Use of Inhibitors of Cytosolic Phospholipase A2 WYETH 2010-02-11 US disclosed
US-20090270369-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-10-29 US disclosed
US-20090270369-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-10-29 US disclosed
US-20090270369-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-10-29 US disclosed
US-7605156-B2 Methods for the use of inhibitors of cytosolic phospholipase A2 WYETH (US) 2009-10-20 US disclosed
US-20080009485-A1 Methods for the use of inhibitors of cytosolic phospholipase A2 in the treatment of thrombosis WYETH (US) 2008-01-10 US disclosed
US-5728834-A Process for preparation of 4-aryl-1,2,4-triazol-3-ones WYCKOFF CHEMICAL COMPANY, INC. (US) 1998-03-17 US disclosed
US-4350701-A 1-(Trihalomethyl-sulfenyl)-4-aryl-1,2,4-triazolin-5-ones, and process for controlling fungi BASF AKTIENGESELLSCHAFT (DE) 1982-09-21 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 (6 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-20080009485-A1 Methods for the use of inhibitors of cytosolic phospholipase A2 in the treatment of thrombosis PLA2G12A, PLA2G1B, PLA2G5 HTT 3375/4885DDB1 4271/4885CRBN 4714/4885
US-20100331310-A1 BICYCLOAMINE DERIVATIVES SCN1B, KCNJ2, KCNH2 HTT 2418/4885DDB1 3823/4885CRBN 4146/4885
US-20100113443-A1 LIQUID FORMULATIONS OF PHOSPHOLIPASE ENZYME INHIBITORS PLA2G4B, PLA2G4A, PLA2G1B HTT 4455/4885DDB1 3983/4885CRBN 4432/4885
US-20100069385-A1 LIQUID FORMULATIONS OF PHOSPHOLIPASE ENZYME INHIBITORS PLA2G2D, PLA2G4B, PLA2G4A HTT 4416/4885DDB1 4128/4885CRBN 4499/4885
US-20090270369-A1 BICYCLOAMINE DERIVATIVES SCN1B, KCNJ2, KCNH2 HTT 2418/4885DDB1 3823/4885CRBN 4146/4885
US-20100035957-A1 Methods for the Use of Inhibitors of Cytosolic Phospholipase A2 PLA2G4A, PLA2G4B, PLA2G1B HTT 2770/4885DDB1 4154/4885CRBN 4805/4885

“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.