SCHEMBL2331152

SCHEMBL2331152

COc1ccc(F)cc1-c1nc(Cl)c2ccc(Br)cc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 4/20 0.48
NPC1 O15118 2/20 0.42
HTT P42858 1/20 0.42
TSHR P16473 3/20 0.40
RAB9A P51151 1/20 0.40
AGPAT2 O15120 1/20 0.40
POLB P06746 1/20 0.39
S1PR1 P21453 3/20 0.39
CHEK1 O14757 3/20 0.38
CHEK2 O96017 3/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 3/20 0.37
LMNA P02545 3/20 0.37
PPARG P37231 1/20 0.37
GFER P55789 1/20 0.37
NCOA2 Q15596 1/20 0.37
NCOA1 Q15788 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
PTGES O14684 1/20 0.36

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
SCHEMBL2327438 0.84 CYP1A2 (0.53) TSHRPOLBMAPTSMN1; SMN2ALDH1A1
SCHEMBL28609356 0.81 TSHR (0.54) AMY1ANPC1HTTTSHRRAB9A
SCHEMBL1621274 0.79 THRB (0.52) AMY1ANPC1HTTTSHRRAB9A
SCHEMBL3910814 0.76 ELANE (0.58) AMY1ANPC1TSHRSMN1; SMN2ALDH1A1
SCHEMBL183825 0.76 CYP1A2 (0.52) AMY1ANPC1TSHRRAB9APOLB
SCHEMBL183879 0.74 CYP1A2 (0.48) NPC1TSHRRAB9ASMN1; SMN2ALDH1A1
SCHEMBL1084998 0.72 CYP1A2 (0.65) TSHRMAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL15033544 0.71 PRNP (0.50) AMY1AHTTRXFP1PTGESCYP1A2
SCHEMBL2333658 0.70 RECQL (0.50) NPC1TSHRAGPAT2POLBMAPT
SCHEMBL1084346 0.70 LMNA (0.59) AMY1ATSHRPOLBCHEK1CHEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324226-B2 Therapeutic oxy-phenyl-aryl compounds and their use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2012-12-04 US disclosed
EP-2227460-B1 THERAPEUTIC OXY-PHENYL-ARYL COMPOUNDS AND THEIR USE CANCER REC TECH LTD (GB) 2012-06-20 EP disclosed
US-20110201592-A1 Therapeutic Oxy-Phenyl-Aryl Compounds and Their Use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2011-08-18 US disclosed
EP-2227460-A1 THERAPEUTIC OXY-PHENYL-ARYL COMPOUNDS AND THEIR USE Cancer Research Technology Limited (GB) 2010-09-15 EP disclosed
WO-2009053694-A1 THERAPEUTIC OXY-PHENYL-ARYL COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-04-30 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 (1 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-20110201592-A1 Therapeutic Oxy-Phenyl-Aryl Compounds and Their Use CHEK2, CHEK1, PLK1 AMY1A 4120/4885NPC1 2700/4885HTT 1154/4885

“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.