SCHEMBL17099741

SCHEMBL17099741

Cc1c(Cl)cnn(Cc2ccccc2Cl)c1=O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.73
KMT2A Q03164 3/20 0.73
SMN1; SMN2 Q16637 2/20 0.73
NPSR1 Q6W5P4 2/20 0.73
POLB P06746 1/20 0.73
RAB9A P51151 1/20 0.73
BLM P54132 1/20 0.73
GPR35 Q9HC97 1/20 0.73
NPBWR1 P48145 9/20 0.53
PKM P14618 1/20 0.53
PKLR P30613 1/20 0.53
ALDH1A1 P00352 3/20 0.50
LMNA P02545 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
HTT P42858 2/20 0.49
GAA P10253 2/20 0.48
HPGD P15428 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL19000728 0.90 MEN1 (0.67) MEN1KMT2ASMN1; SMN2NPSR1POLB
SCHEMBL10642561 0.84 RAB9A (1.00) MEN1KMT2ASMN1; SMN2NPSR1POLB
SCHEMBL25341629 0.84 NPBWR1 (0.60) MEN1KMT2ASMN1; SMN2NPSR1POLB
SCHEMBL18979930 0.84 NPSR1 (0.76) MEN1KMT2ASMN1; SMN2NPSR1POLB
SCHEMBL18980285 0.82 SMN1; SMN2 (0.73) MEN1KMT2ASMN1; SMN2NPSR1POLB
SCHEMBL18980164 0.78 RAB9A (0.76) MEN1KMT2ASMN1; SMN2NPSR1POLB
SCHEMBL18979949 0.78 RAB9A (0.67) MEN1KMT2ASMN1; SMN2NPSR1POLB
SCHEMBL19000701 0.78 NPSR1 (0.76) MEN1KMT2ASMN1; SMN2NPSR1POLB
SCHEMBL18980262 0.77 POLB (0.70) MEN1KMT2ASMN1; SMN2NPSR1POLB
SCHEMBL18979944 0.75 MEN1 (0.63) MEN1KMT2ASMN1; SMN2NPSR1POLB

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 4 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
WO-2015143164-A1 ANTIMICROBIAL AGENTS AND SCREENING METHODS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-09-24 WO 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 MEN1 4584/4885KMT2A 4485/4885SMN1; SMN2 4088/4885

“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.