SCHEMBL3915490

SCHEMBL3915490

NC(=S)NCCc1ccc(Cl)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 1.00
KMT2A Q03164 6/20 0.57
MEN1 O00255 4/20 0.57
MAPT P10636 4/20 0.54
LMNA P02545 3/20 0.54
ALOX12 P18054 2/20 0.54
TP53 P04637 1/20 0.54
XBP1 P17861 1/20 0.54
HTT P42858 1/20 0.54
CYP1A2 P05177 2/20 0.53
CYP2D6 P10635 2/20 0.53
CYP2C19 P33261 2/20 0.53
CNR1 P21554 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
TAAR1 Q96RJ0 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51

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
Trifluoroacetic Acid SCHEMBL6471674 0.86 IDO1 (0.74) IDO1KMT2AMEN1MAPTLMNA
SCHEMBL6885865 0.84 KMT2A (0.75) IDO1KMT2AMEN1MAPTLMNA
SCHEMBL4533729 0.82 IDO1 (0.70) IDO1KMT2AMAPTLMNACYP1A2
SCHEMBL3912629 0.81 IDO1 (0.68) IDO1KMT2AMEN1LMNAALOX12
SCHEMBL3920092 0.81 IDO1 (0.68) IDO1KMT2AMEN1MAPTLMNA
SCHEMBL21357659 0.81 IDO1 (0.68) IDO1KMT2AMAPTLMNAALOX12
SCHEMBL8581580 0.81 IDO1 (0.68) IDO1KMT2AMAPTLMNAHTT
SCHEMBL20696264 0.81 IDO1 (0.68) IDO1KMT2AMEN1MAPTLMNA
SCHEMBL10310268 0.81 IDO1 (0.68) IDO1KMT2AMEN1MAPTLMNA
SCHEMBL6564185 0.80 IDO1 (0.67) IDO1KMT2AMEN1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3388425-B1 AMINOAZOLE DERIVATIVE TEIJIN PHARMA LTD (JP) 2020-08-05 EP disclosed
EP-3388425-B1 AMINOAZOLE DERIVATIVE TEIJIN PHARMA LTD (JP) 2020-08-05 EP disclosed
US-10689354-B2 Aminoazole derivative TEIJIN PHARMA LIMITED (JP) 2020-06-23 US disclosed
US-10689354-B2 Aminoazole derivative TEIJIN PHARMA LIMITED (JP) 2020-06-23 US disclosed
US-20190031628-A1 AMINOAZOLE DERIVATIVE TEIJIN PHARMA LIMITED (JP) 2019-01-31 US disclosed
US-20190031628-A1 AMINOAZOLE DERIVATIVE TEIJIN PHARMA LIMITED (JP) 2019-01-31 US disclosed
EP-3388425-A1 AMINOAZOLE DERIVATIVE Teijin Pharma Limited (JP) 2018-10-17 EP disclosed
CN-108368068-A Amino Zole derivatives 帝人制药株式会社 2018-08-03 CN disclosed
WO-2017099237-A1 AMINOAZOLE DERIVATIVE 帝人ファーマ株式会社 2017-06-15 WO disclosed
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-20070155808-A1 Phenylpropanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-05 US disclosed
WO-2006100204-A1 BENZAMIDINE DERIVATIVES FOR TREATMENT AND PREVENTION OF CANCER THERAPY INDUCED MUCOSITIS ROTTAPHARM S.P.A. (IT) 2006-09-28 WO disclosed
EP-1698624-A1 PHENYLPROPANOIC ACID DERIVATIVES Takeda Pharmaceutical Company Limited (JP) 2006-09-06 EP disclosed
WO-2005006881-A2 SALT TASTE MODIFICATION VIRGINIA COMMONWEALTH UNIVERSITY (US) 2005-01-27 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 (3 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-10689354-B2 Aminoazole derivative AR, NR3C2, NR5A1 IDO1 2443/4885KMT2A 1490/4885MEN1 1910/4885
US-20190031628-A1 AMINOAZOLE DERIVATIVE AR, NR3C2, NR5A1 IDO1 2443/4885KMT2A 1490/4885MEN1 1910/4885
US-20070155808-A1 Phenylpropanoic acid derivatives GPR119, GPR55, FFAR1 IDO1 2261/4885KMT2A 3549/4885MEN1 2970/4885

“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.