SCHEMBL3921114

SCHEMBL3921114

CC(C)c1csc(NCCc2ccccn2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2C19 P33261 1/20 0.52
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
HTT P42858 2/20 0.49
HRH3 Q9Y5N1 1/20 0.48
LMNA P02545 2/20 0.47
TAAR1 Q96RJ0 1/20 0.47
ALOX15 P16050 1/20 0.47
APP P05067 2/20 0.46
NPC1 O15118 2/20 0.44
CCR4 P51679 1/20 0.44
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPY5R Q15761 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPK1 P28482 1/20 0.42
MAOB P27338 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.42

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
SCHEMBL22334910 0.82 RAB9A (0.55) ALDH1A1CYP1A2CYP2C19RAB9ASMN1; SMN2
SCHEMBL3915875 0.81 KDM4E (0.57) ALDH1A1CYP1A2RAB9ASMN1; SMN2HTT
SCHEMBL22334955 0.80 CYP1A2 (0.53) ALDH1A1CYP1A2CYP2C19RAB9ASMN1; SMN2
SCHEMBL3920037 0.76 CCR4 (0.47) ALDH1A1CYP1A2RAB9ASMN1; SMN2HTT
SCHEMBL23657165 0.76 CYP1A2 (0.58) ALDH1A1CYP1A2CYP2C19RAB9ASMN1; SMN2
SCHEMBL525316 0.75 SMN1; SMN2 (0.54) ALDH1A1CYP1A2CYP2C19RAB9ASMN1; SMN2
SCHEMBL12894438 0.74 TYR (0.46) ALDH1A1CYP1A2RAB9AHTTLMNA
SCHEMBL12190536 0.73 MECP2 (0.60) ALDH1A1RAB9ASMN1; SMN2HTTLMNA
SCHEMBL3913772 0.73 HTR7 (0.43) ALDH1A1RAB9ASMN1; SMN2HTTTAAR1
SCHEMBL1745530 0.72 CCR4 (0.43) ALDH1A1CYP1A2RAB9AHTTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1698624-B1 PHENYLPROPANOIC ACID DERIVATIVES TAKEDA PHARMACEUTICAL (JP) 2012-06-27 EP disclosed
US-7585880-B2 Phenylpropanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-08 US disclosed
US-7585880-B2 Phenylpropanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-08 US disclosed
US-7585880-B2 Phenylpropanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-08 US disclosed
US-20070155808-A1 Phenylpropanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-05 US disclosed
US-20070155808-A1 Phenylpropanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-05 US disclosed
US-20070155808-A1 Phenylpropanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-05 US disclosed
EP-1698624-A1 PHENYLPROPANOIC ACID DERIVATIVES Takeda Pharmaceutical Company Limited (JP) 2006-09-06 EP 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-20070155808-A1 Phenylpropanoic acid derivatives GPR119, GPR55, FFAR1 ALDH1A1 932/4885CYP1A2 2051/4885CYP2C19 1259/4885

“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.