SCHEMBL2071218

SCHEMBL2071218

N#CCC(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 1/20 0.52
ALDH1A1 P00352 5/20 0.48
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
TAS1R2 Q8TE23 1/20 0.44
MAPT P10636 3/20 0.43
HK1 P19367 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HKDC1 Q2TB90 1/20 0.41
HPGD P15428 2/20 0.40
AKR1B1 P15121 1/20 0.39
KDM4E B2RXH2 3/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
KCNH2 Q12809 2/20 0.38
GAA P10253 1/20 0.38
RECQL P46063 1/20 0.38
NPC1 O15118 1/20 0.38
GLA P06280 1/20 0.38
ABL1 P00519 1/20 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
SCHEMBL16563485 0.88 KMT2A (0.52) FEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL30394883 0.88 KMT2A (0.52) FEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL7380731 0.79 ERCC5 (0.56) FEN1ALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL135637 0.78 MAPT (0.56) FEN1ALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL16253911 0.77 MAPT (0.48) FEN1ALDH1A1MAPTAKR1B1KMT2A
SCHEMBL2089796 0.77 MAPT (0.49) FEN1ALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL30440405 0.77 MAPT (0.48) FEN1ALDH1A1MAPTAKR1B1KMT2A
SCHEMBL2088995 0.76 KCNH2 (0.45) ALDH1A1MAPTHK1SMN1; SMN2HKDC1
SCHEMBL7001279 0.76 CES2 (0.50) ALDH1A1MAPTHK1SMN1; SMN2HKDC1
SCHEMBL10968054 0.76 ALDH1A1 (0.36) FEN1ALDH1A1TAS1R3TAS1R1TAS1R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2522670-A1 Heterocyclic CRF receptor antagonists Takeda Pharmaceutical Company Limited (JP) 2012-11-14 EP disclosed
US-7897607-B2 Cyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-01 US disclosed
US-20100152205-A1 CXCR2 INHIBITORS NOVARTIS AG 2010-06-17 US disclosed
EP-2094697-A1 5-SULFANYLMETHYL-PYRAZOLO [1,5-A]PYRIMIDIN-7-OL DERIVATIVES AS CXCR2 ANTAGONISTS Novartis AG (CH) 2009-09-02 EP disclosed
WO-2008062026-A1 5-SULFANYLMETHYL-PYRAZOLO [1,5-A] PYRIMIDIN-7-OL DERIVATIVES AS CXCR2 ANTAGONISTS NOVARTIS AG (CH) 2008-05-29 WO disclosed
EP-1732541-A4 CYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2008-03-05 EP disclosed
US-20070179165-A1 Cyclic compounds GYORKOS ALBERT C 2007-08-02 US disclosed
EP-1732541-A2 CYCLIC COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2006-12-20 EP disclosed
WO-2005099688-A2 CYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-10-27 WO 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 (2 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-20100152205-A1 CXCR2 INHIBITORS CXCR2, CXCR1, CXCR3 FEN1 2699/4885ALDH1A1 931/4885TAS1R3 1975/4885
US-20070179165-A1 Cyclic compounds CRHR1, CRHR2, MC2R FEN1 4535/4885ALDH1A1 786/4885TAS1R3 2085/4885

“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.