SCHEMBL18980262

SCHEMBL18980262

COc1cnn(Cc2ccccc2Cl)c(=O)c1Cl

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.70
SMN1; SMN2 Q16637 2/20 0.70
MEN1 O00255 1/20 0.70
RAB9A P51151 1/20 0.70
BLM P54132 1/20 0.70
KMT2A Q03164 1/20 0.70
NPSR1 Q6W5P4 1/20 0.70
GPR35 Q9HC97 1/20 0.70
NPBWR1 P48145 14/20 0.58
MAPT P10636 2/20 0.48
TP53 P04637 1/20 0.48
PKM P14618 1/20 0.47
PKLR P30613 1/20 0.47
ALDH1A1 P00352 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
SCHEMBL18979972 0.87 POLB (0.59) POLBSMN1; SMN2MEN1RAB9ABLM
SCHEMBL4178364 0.85 ALDH1A1 (0.62) POLBSMN1; SMN2MEN1RAB9ABLM
SCHEMBL19000729 0.84 NPBWR1 (0.72) POLBSMN1; SMN2MEN1RAB9ABLM
SCHEMBL2180167 0.83 KMT2A (0.61) POLBSMN1; SMN2MEN1RAB9ABLM
SCHEMBL10642561 0.83 RAB9A (1.00) POLBSMN1; SMN2MEN1RAB9ABLM
SCHEMBL18979930 0.82 NPSR1 (0.76) POLBSMN1; SMN2MEN1RAB9ABLM
SCHEMBL18980164 0.79 RAB9A (0.76) POLBSMN1; SMN2MEN1RAB9ABLM
SCHEMBL14844510 0.78 NPBWR1 (0.67) SMN1; SMN2RAB9ANPSR1NPBWR1PKM
SCHEMBL17099741 0.77 MEN1 (0.73) POLBSMN1; SMN2MEN1RAB9ABLM
SCHEMBL981480 0.76 KMT2A (0.54) SMN1; SMN2MEN1RAB9AKMT2ANPSR1

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-20170173008-A1 ANTIMICROBIAL AGENTS AND SCREENING METHODS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-06-22 US disclosed
US-20170173008-A1 ANTIMICROBIAL AGENTS AND SCREENING METHODS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-06-22 US disclosed
US-20170173008-A1 ANTIMICROBIAL AGENTS AND SCREENING METHODS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-06-22 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-20170173008-A1 ANTIMICROBIAL AGENTS AND SCREENING METHODS BAK1, DCLRE1B, BLVRB POLB 11/4885SMN1; SMN2 4088/4885MEN1 4584/4885

“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.