SCHEMBL3430680

SCHEMBL3430680

COC(=O)Nc1[c]nccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.39
HPGD P15428 5/20 0.38
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 4/20 0.37
KMT2A Q03164 3/20 0.37
HSD17B10 Q99714 3/20 0.36
GAA P10253 1/20 0.36
RCE1 Q9Y256 1/20 0.36
MEN1 O00255 2/20 0.36
HTT P42858 1/20 0.36
LMNA P02545 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPT P10636 3/20 0.35
ALOX5 P09917 1/20 0.35
PKM P14618 2/20 0.34
NPC1 O15118 2/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
TP53 P04637 1/20 0.34
CASP3 P42574 1/20 0.34

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
SCHEMBL3425959 0.83 NPC1 (0.46) SMN1; SMN2HPGDALDH1A1KDM4EKMT2A
SCHEMBL1558873 0.83 NAMPT (0.45) KMT2AGAAMEN1LMNANPC1
SCHEMBL1906809 0.81 HSD17B10 (0.41) SMN1; SMN2HPGDALDH1A1KDM4EKMT2A
SCHEMBL5481582 0.80 POLB (0.34) SMN1; SMN2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL5476348 0.80 POLB (0.34) SMN1; SMN2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL4985483 0.79 RAB9A (0.50) SMN1; SMN2HPGDALDH1A1KDM4EHSD17B10
SCHEMBL5478772 0.79 ALDH1A1 (0.46) SMN1; SMN2HPGDALDH1A1KDM4EKMT2A
SCHEMBL5481218 0.78 GAA (0.36) ALDH1A1KDM4EKMT2AGAAMEN1
SCHEMBL5481198 0.77 TSHR (0.40) KDM4EHTTTP53
SCHEMBL12468731 0.77 SMN1; SMN2 (0.41) SMN1; SMN2HPGDALDH1A1KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010146351-A1 INDOLYLMETHYL-MORPHOLINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2010-12-23 WO disclosed
US-7595332-B2 Amides that inhibit vanilloid receptor subtype 1 (VR1) ABBOTT LABORATORIES (US) 2009-09-29 US disclosed
US-20080125409-A1 1,5-Diheterocycle-1H-Triazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-05-29 US disclosed
US-20070208021-A1 Phenoxyacetic Acid Derivatives and Drug Comprising The Same DAIICHI PHARMACEUTICAL CO., LTD. 2007-09-06 US disclosed
EP-1803719-A1 1,5-DIHETEROCYCLE-1H-TRIAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-07-04 EP disclosed
EP-1731513-A1 PHENOXYACETIC ACID DERIVATIVE AND MEDICINE CONTAINING THE SAME DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-12-13 EP disclosed
EP-1673342-A2 AMIDES THAT INHIBIT VANILLOID RECEPROT SUBTYPE 1 (VR1) RECEPTOR ABBOTT LABORATORIES (US) 2006-06-28 EP disclosed
US-20060122231-A1 Amides that inhibit vanilloid receptor subtype 1 (VR1) ABBVIE INC. 2006-06-08 US disclosed
US-7037927-B2 Amides that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBOTT LABORATORIES (US) 2006-05-02 US disclosed
WO-2005040121-A2 AMIDES THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LABORATORIES (US) 2005-05-06 WO disclosed
US-20050085512-A1 Amides that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBVIE INC. 2005-04-21 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 (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-20080125409-A1 1,5-Diheterocycle-1H-Triazole Derivative PTGS1, PTGER1, TBXA2R SMN1; SMN2 3713/4885HPGD 80/4885ALDH1A1 185/4885
US-20060122231-A1 Amides that inhibit vanilloid receptor subtype 1 (VR1) TRPV1, OPRL1, AVPR2 SMN1; SMN2 2485/4885HPGD 622/4885ALDH1A1 222/4885
US-20050085512-A1 Amides that inhibit vanilloid receptor subtype 1 (VR1) receptor TRPV1, OPRL1, AVPR1A SMN1; SMN2 2515/4885HPGD 611/4885ALDH1A1 213/4885
US-20070208021-A1 Phenoxyacetic Acid Derivatives and Drug Comprising The Same PPARA, PPARG, PPARD SMN1; SMN2 4822/4885HPGD 976/4885ALDH1A1 620/4885

“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.