SCHEMBL4989273

SCHEMBL4989273

Cc1cc(SC(C)C)c(N)c(SC(C)C)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.39
NOS3 P29474 3/20 0.36
NOS1 P29475 3/20 0.36
NOS2 P35228 3/20 0.36
RECQL P46063 1/20 0.33
LMNA P02545 2/20 0.33
POLB P06746 2/20 0.31
PKM P14618 1/20 0.31
MAPK1 P28482 1/20 0.31
PAX8 Q06710 1/20 0.31
ATM Q13315 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ADORA2A P29274 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GLP1R P43220 1/20 0.31

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
SCHEMBL14093776 0.81 KDM4E (0.42) KDM4EMEN1KMT2AMAPTTSHR
SCHEMBL4988091 0.71 MAPT (0.39) KDM4EMEN1KMT2AMAPTTSHR
SCHEMBL6905519 0.71 KDM4E (0.33) KDM4EMEN1KMT2AMAPT
SCHEMBL4491895 0.71 KMT2A (0.43) KDM4EMEN1KMT2ANOS3NOS1
SCHEMBL4983045 0.67 NPSR1 (0.39) KDM4EMEN1KMT2AMAPTTSHR
SCHEMBL4982583 0.66 RXFP1 (0.39) KDM4EMEN1KMT2AMAPTLMNA
SCHEMBL6912800 0.65 ALDH1A1 (0.34) KDM4EMEN1KMT2AMAPTTSHR
SCHEMBL12411202 0.65 TSHR (0.68) KDM4EMEN1KMT2AMAPTTSHR
SCHEMBL9009465 0.64 GAA (0.33) KDM4EMEN1KMT2AMAPTALDH1A1
SCHEMBL31124584 0.63 NOS3 (0.36) KDM4EMEN1KMT2AMAPTNOS3

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
US-7414066-B2 Amide compounds and medications containing the same technical field KOWA COMPANY LTD. (JP) 2008-08-19 US disclosed
US-7393866-B2 Amide compounds and medications containing the same KOWA COMPANY, LTD. (JP) 2008-07-01 US disclosed
EP-0979823-B1 NOVEL AMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME KOWA CO (JP) 2006-03-29 EP disclosed
US-6969711-B2 Cyclic diamine compounds and medicine containing the same KOWA COMPANY, LTD. (JP) 2005-11-29 US disclosed
US-20050131001-A1 Novel amide compounds and medications containing the same technical field KOWA COMPANY LTD. (JP) 2005-06-16 US disclosed
US-20050131002-A1 Novel amide compounds and medications containing the same KOWA COMPANY LTD. (JP) 2005-06-16 US disclosed
US-6849647-B1 Amide compounds and medications containing the same technical field KOWA COMPANY, LTD. (JP) 2005-02-01 US disclosed
EP-0987254-B1 NOVEL CYCLIC DIAMINE COMPOUNDS AND MEDICINE CONTAINING THE SAME KOWA CO (JP) 2004-12-22 EP disclosed
US-20040038987-A1 Novel cyclic diamine compounds and medicine containing the same KOWA COMPANY, LTD. (JP) 2004-02-26 US disclosed
EP-0987254-A1 NOVEL CYCLIC DIAMINE COMPOUNDS AND MEDICINE CONTAINING THE SAME Kowa Co., Ltd. (JP) 2000-03-22 EP disclosed
EP-0979823-A1 NOVEL AMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME Kowa Company Ltd. (JP) 2000-02-16 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 (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-20050131001-A1 Novel amide compounds and medications containing the same technical field ACAT2, SULT2A1, ACAT1 KDM4E 1007/4885MEN1 4353/4885KMT2A 1001/4885
US-20050131002-A1 Novel amide compounds and medications containing the same ACAT2, SULT2A1, ACAT1 KDM4E 923/4885MEN1 4488/4885KMT2A 1172/4885
US-20040038987-A1 Novel cyclic diamine compounds and medicine containing the same LCAT, ACAT2, ACAT1 KDM4E 1460/4885MEN1 3614/4885KMT2A 433/4885

“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.