SCHEMBL9911396

SCHEMBL9911396

Cc1ccc(-c2cn[nH]c2OCC(=O)Nc2ccc(-c3ccc(CC(=O)O)cc3)cc2Cl)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HTT P42858 1/20 0.42
DGAT1 O75907 3/20 0.41
POLB P06746 3/20 0.40
RECQL P46063 1/20 0.38
LMNA P02545 3/20 0.38
XBP1 P17861 1/20 0.38
SYK P43405 1/20 0.38
SOAT1 P35610 2/20 0.37
TP53 P04637 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
TSHR P16473 1/20 0.35

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
SCHEMBL861726 0.83 POLB (0.41) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL861557 0.75 RAB9A (0.42) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL9911393 0.72 DGAT1 (0.44) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL861021 0.69 POLB (0.41) MAPTALDH1A1HTTPOLBTP53
SCHEMBL861475 0.68 POLB (0.44) MAPTALDH1A1HTTPOLBLMNA
SCHEMBL9612040 0.64 MAPT (0.46) MAPTMEN1KMT2ANPC1ALDH1A1
SCHEMBL13064753 0.64 ALDH1A1 (0.46) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL9313923 0.63 MEN1 (0.68) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL25247551 0.62 KDM4E (0.53) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL30232518 0.62 KDM4E (0.53) MAPTMEN1KMT2AALDH1A1POLB

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-8198458-B2 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-12 US disclosed
US-8198458-B2 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-12 US disclosed
US-20090143370-A1 Non-nucleoside Reverse Transcriptase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-04 US disclosed
US-7517998-B2 Benzothiazole or benzothiazine derivative of dipyrido(2,3;b:2',3'-e) diazepin-6-one; viricide against human t-cell leukemia/lymphoma virus BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2009-04-14 US disclosed
US-7517998-B2 Benzothiazole or benzothiazine derivative of dipyrido(2,3;b:2',3'-e) diazepin-6-one; viricide against human t-cell leukemia/lymphoma virus BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2009-04-14 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 (1 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-20090143370-A1 Non-nucleoside Reverse Transcriptase Inhibitors RTF1, POLR1A, POLR1E MAPT 2404/4885MEN1 4595/4885KMT2A 1509/4885

“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.