SCHEMBL6747812

SCHEMBL6747812

CC(C)(C)NC(=S)N[C@@H](CO)Cc1cnccn1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.33
QPCT Q16769 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPKAPK2 P49137 1/20 0.32
ACKR3 P25106 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
NLRP3 Q96P20 1/20 0.31
LONP1 P36776 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL6211040 1.00 SMN1; SMN2 (0.33) SMN1; SMN2QPCTPOLBHPGDMEN1
SCHEMBL27485819 0.79 BAZ2B (0.39) SMN1; SMN2NLRP3KDM4EALDH1A1
SCHEMBL6237990 0.78 ALDH1A1 (0.44) SMN1; SMN2HPGDKMT2ANPC1RAB9A
SCHEMBL6209835 0.77 POLB (0.43) SMN1; SMN2QPCTPOLBHPGDKMT2A
SCHEMBL6209840 0.77 POLB (0.43) SMN1; SMN2QPCTPOLBHPGDKMT2A
SCHEMBL6209261 0.76 NPC1 (0.31) MEN1KMT2ANPC1RAB9A
SCHEMBL6190886 0.76 NLRP3 (0.38) MEN1KMT2ANPC1RAB9ANLRP3
SCHEMBL6190893 0.76 NLRP3 (0.38) MEN1KMT2ANPC1RAB9ANLRP3
SCHEMBL4058914 0.74 POLB (0.34) SMN1; SMN2QPCTPOLBHPGDMEN1
SCHEMBL6751553 0.74 SLC6A3 (0.32) SMN1; SMN2QPCTPOLBHPGDMEN1

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-6699895-B2 CYCLIZING THE TERT-BUTYL-THIOUREA DERIVATIVE TO FORM THE END PRODUCT AVENTIS PHARMA S.A. (FR) 2004-03-02 US disclosed
US-20020198243-A1 2-aminothiazoline derivatives and process for preparing the same CARRY JEAN-CHRISTOPHE (FR) 2002-12-26 US disclosed
US-20020187987-A1 Use of 2-aminothiazoline derivatives as inhibitors of inducible NO-synthase CARRY JEAN-CHRISTOPHE (FR) 2002-12-12 US disclosed
US-6451821-B1 ADMINISTERING TO A PATIENT A THERAPEUTICALLY EFFECTIVE AMOUNT OF 2-AMINOTHIAZOLINE DERIVATIVES FOR TREATING OR PREVENTING DISEASE CONDITIONS ASSOCIATED WITH AN ABNORMAL PRODUCTION OF NITRIC OXIDE(NO) AVENTIS PHARMA S.A. (FR) 2002-09-17 US disclosed
US-20020022631-A1 Use of 2-aminothiazoline derivatives as inhibitors of inducible no-synthase AVENTIS PHARMA S.A. (FR) 2002-02-21 US 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-20020022631-A1 Use of 2-aminothiazoline derivatives as inhibitors of inducible no-synthase NOS2, NOS3, NOS1 SMN1; SMN2 4144/4885QPCT 716/4885POLB 3806/4885
US-20020198243-A1 2-aminothiazoline derivatives and process for preparing the same NOS3, TH, CBR1 SMN1; SMN2 2862/4885QPCT 669/4885POLB 3600/4885
US-20020187987-A1 Use of 2-aminothiazoline derivatives as inhibitors of inducible NO-synthase NOS2, NOS3, NOS1 SMN1; SMN2 4243/4885QPCT 817/4885POLB 3719/4885

“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.