SCHEMBL18979972

SCHEMBL18979972

COc1cnn(Cc2ccccc2Cl)c(=O)c1Br

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.59
▸ MEN1 O00255 1/20 0.59
▸ RAB9A P51151 1/20 0.59
▸ BLM P54132 1/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ NPSR1 Q6W5P4 1/20 0.59
▸ GPR35 Q9HC97 1/20 0.59
▸ NPBWR1 P48145 15/20 0.56
▸ TP53 P04637 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ PKM P14618 1/20 0.45
▸ PKLR P30613 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45

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
SCHEMBL18980262 0.87 POLB (0.70) POLBMEN1RAB9ABLMKMT2A
SCHEMBL4178254 0.84 ALDH1A1 (0.61) RAB9ASMN1; SMN2NPSR1NPBWR1MAPT
SCHEMBL18980285 0.84 SMN1; SMN2 (0.73) POLBMEN1RAB9ABLMKMT2A
SCHEMBL18979949 0.82 RAB9A (0.67) POLBMEN1RAB9ABLMKMT2A
SCHEMBL18979944 0.80 MEN1 (0.63) POLBMEN1RAB9ABLMKMT2A
SCHEMBL21521858 0.77 NPBWR1 (0.61) RAB9ASMN1; SMN2NPBWR1PKMPKLR
SCHEMBL18980164 0.77 RAB9A (0.76) POLBMEN1RAB9ABLMKMT2A
SCHEMBL19000729 0.76 NPBWR1 (0.72) POLBMEN1RAB9ABLMKMT2A
SCHEMBL17099741 0.75 MEN1 (0.73) POLBMEN1RAB9ABLMKMT2A
SCHEMBL10642561 0.75 RAB9A (1.00) POLBMEN1RAB9ABLMKMT2A

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 11/4885MEN1 4584/4885RAB9A 3085/4885

“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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