SCHEMBL12316880

SCHEMBL12316880

Cc1c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cccc1-c1nc2ccccc2o1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 11/20 0.69
▸ POLB P06746 2/20 0.69
▸ TP53 P04637 5/20 0.65
▸ NPSR1 Q6W5P4 3/20 0.64
▸ TSHR P16473 2/20 0.64
▸ HTT P42858 2/20 0.64
▸ LMNA P02545 2/20 0.64
▸ KDM4E B2RXH2 1/20 0.64
▸ HSD17B10 Q99714 2/20 0.60
▸ APOBEC3A P31941 1/20 0.59
▸ APOBEC3G Q9HC16 1/20 0.59
▸ ALDH1A1 P00352 1/20 0.56
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ THRB P10828 3/20 0.53
▸ KMT2A Q03164 1/20 0.51
▸ MCL1 Q07820 1/20 0.51

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
SCHEMBL12338770 0.84 MAPT (0.66) MAPTPOLBTP53NPSR1TSHR
SCHEMBL31451706 0.79 MAPT (0.71) MAPTPOLBTP53NPSR1TSHR
SCHEMBL28092071 0.78 MAPT (0.67) MAPTPOLBNPSR1HTTLMNA
SCHEMBL31451543 0.76 MAPT (0.64) MAPTPOLBTP53NPSR1TSHR
SCHEMBL14642399 0.75 MAPT (0.64) MAPTTP53THRBKMT2A
SCHEMBL14642395 0.75 P2RX3 (0.63) MAPTPOLBTP53HTTKDM4E
SCHEMBL31451577 0.74 MAPT (0.70) MAPTTP53NPSR1TSHRLMNA
SCHEMBL31451675 0.74 MAPT (0.61) MAPTTP53NPSR1TSHRLMNA
SCHEMBL31451534 0.74 MAPT (0.70) MAPTTP53NPSR1TSHRLMNA
SCHEMBL8026664 0.73 MAPT (0.67) MAPTHTTLMNAKDM4EALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263642-B2 Antimicrobial compounds and methods of use thereof VANDERBILT UNIVERSITY (US) 2012-09-11 — — US disclosed
US-20100004324-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF USE THEREOF VANDERBILT UNIVERSITY 2010-01-07 — — 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-20100004324-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF USE THEREOF HMOX1, HMOX2, NOD2 MAPT 3448/4885POLB 3447/4885TP53 3383/4885

“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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