SCHEMBL20550430

SCHEMBL20550430

Cc1nc(-c2ccc(I)cc2)sc1C(=O)/C=C/N(C)C

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.77
SMN1; SMN2 Q16637 9/20 0.77
ALDH1A1 P00352 8/20 0.77
NPC1 O15118 5/20 0.77
KMT2A Q03164 4/20 0.77
MEN1 O00255 3/20 0.77
MAPT P10636 10/20 0.60
LMNA P02545 4/20 0.53
ATM Q13315 1/20 0.53
KDM4E B2RXH2 2/20 0.48
GAA P10253 1/20 0.48
POLB P06746 2/20 0.46

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
SCHEMBL20550267 0.85 ALDH1A1 (0.73) RAB9ASMN1; SMN2ALDH1A1NPC1KMT2A
SCHEMBL4154290 0.82 RAB9A (0.70) RAB9ASMN1; SMN2ALDH1A1NPC1KMT2A
SCHEMBL20550692 0.82 RAB9A (0.69) RAB9ASMN1; SMN2ALDH1A1NPC1KMT2A
SCHEMBL4161879 0.79 ALDH1A1 (0.65) RAB9ASMN1; SMN2ALDH1A1NPC1KMT2A
SCHEMBL12278025 0.79 ALDH1A1 (0.76) RAB9ASMN1; SMN2ALDH1A1NPC1KMT2A
SCHEMBL2412009 0.79 ALDH1A1 (0.76) RAB9ASMN1; SMN2ALDH1A1NPC1KMT2A
SCHEMBL15655532 0.78 RAB9A (0.72) RAB9ASMN1; SMN2ALDH1A1NPC1KMT2A
SCHEMBL12970049 0.78 RAB9A (0.77) RAB9ASMN1; SMN2ALDH1A1NPC1KMT2A
SCHEMBL4167344 0.76 ALDH1A1 (0.67) RAB9ASMN1; SMN2ALDH1A1NPC1KMT2A
SCHEMBL4170788 0.76 ALDH1A1 (0.63) RAB9ASMN1; SMN2ALDH1A1NPC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10414759-B2 Phenylthiazoles and uses thereof PURDUE RESEARCH FOUNDATION (US) 2019-09-17 US disclosed
US-10414759-B2 Phenylthiazoles and uses thereof PURDUE RESEARCH FOUNDATION (US) 2019-09-17 US disclosed
US-20180319784-A1 PHENYLTHIAZOLES AND USES THEREOF PURDUE RESEARCH FOUNDATION (US) 2018-11-08 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 (2 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-20180319784-A1 PHENYLTHIAZOLES AND USES THEREOF TPMT, TST, CLPP RAB9A 4466/4885SMN1; SMN2 2885/4885ALDH1A1 2016/4885
US-10414759-B2 Phenylthiazoles and uses thereof TPMT, TST, CLPP RAB9A 4396/4885SMN1; SMN2 3041/4885ALDH1A1 1901/4885

“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.