SCHEMBL13853522

SCHEMBL13853522

CNC(=O)NCc1cc(O)n(C)n1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.45
▸ SMN1; SMN2 Q16637 5/20 0.41
▸ ALDH1A1 P00352 4/20 0.39
▸ CYP3A4 P08684 3/20 0.39
▸ HPGD P15428 2/20 0.39
▸ LMNA P02545 2/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ HSD17B10 Q99714 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ BAZ2B Q9UIF8 1/20 0.36
▸ POLB P06746 1/20 0.33
▸ KMT2A Q03164 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ RAB9A P51151 3/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ MALT1 Q9UDY8 1/20 0.32

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
SCHEMBL13870640 0.84 HTT (0.61) HTTSMN1; SMN2ALDH1A1CYP3A4HPGD
SCHEMBL13870776 0.83 HTT (0.44) HTTSMN1; SMN2ALDH1A1CYP3A4HPGD
SCHEMBL13212086 0.75 L3MBTL1 (0.47) HTTSMN1; SMN2ALDH1A1CYP3A4HPGD
SCHEMBL13853642 0.72 NAMPT (0.45) HTTSMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL13870783 0.72 HTT (0.35) HTTSMN1; SMN2ALDH1A1HPGDLMNA
SCHEMBL24015858 0.71 KDM4E (0.44) SMN1; SMN2ALDH1A1CYP3A4HPGDLMNA
SCHEMBL2844335 0.70 KDM4E (0.40) SMN1; SMN2ALDH1A1HPGDLMNAHSD17B10
SCHEMBL4076546 0.70 ALDH1A1 (0.44) HTTSMN1; SMN2ALDH1A1CYP3A4HPGD
SCHEMBL11826578 0.70 HSP90AB1 (0.44) SMN1; SMN2ALDH1A1HPGDLMNAKDM4E
SCHEMBL13870780 0.70 HTT (0.36) HTTSMN1; SMN2ALDH1A1HSD17B10

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-8354418-B2 Thiazolyl-dihydro-quinazolines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-15 — — US disclosed
US-20090131424-A1 THIAZOLYL-DIHYDRO-CHINAZOLINE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-21 — — US disclosed
US-7517995-B2 Thiazolyl-dihydro-cyclopentapyrazole BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-14 — — US disclosed
US-20070238746-A1 THIAZOLYL-DIHYDRO-CHINAZOLINE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-11 — — US disclosed
US-20070238730-A1 THIAZOLYL-DIHYDRO-CYCLOPENTAPYRAZOLE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-11 — — 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-20070238746-A1 THIAZOLYL-DIHYDRO-CHINAZOLINE CYP3A7, UGT2B7, UGT1A7 HTT 1026/4885SMN1; SMN2 3842/4885ALDH1A1 165/4885
US-20090131424-A1 THIAZOLYL-DIHYDRO-CHINAZOLINE CYP3A7, UGT2B7, UGT1A7 HTT 1026/4885SMN1; SMN2 3842/4885ALDH1A1 165/4885
US-20070238730-A1 THIAZOLYL-DIHYDRO-CYCLOPENTAPYRAZOLE REN, ROR1, RORB HTT 898/4885SMN1; SMN2 3392/4885ALDH1A1 115/4885

“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.

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