SCHEMBL19240302

SCHEMBL19240302

Cc1nccnc1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.48
HSD17B10 Q99714 1/20 0.48
IDO1 P14902 1/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 3/20 0.46
MAPT P10636 2/20 0.46
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
RAB9A P51151 3/20 0.43
APP P05067 1/20 0.43
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 3/20 0.42
GAA P10253 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
STAT3 P40763 1/20 0.41

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
SCHEMBL18448504 0.86 ACHE (0.64) ACHEHSD17B10IDO1KMT2ALMNA
SCHEMBL28134363 0.80 PDE4D (0.58) ACHEIDO1LMNAMAPTRAB9A
SCHEMBL18447787 0.80 KMT2A (0.55) IDO1KMT2ALMNAMAPTRAB9A
SCHEMBL18447788 0.80 MAPT (0.54) IDO1KMT2ALMNAMAPTRAB9A
SCHEMBL28458346 0.79 CYP2A6 (0.49) ACHEHSD17B10IDO1KMT2ALMNA
SCHEMBL2831148 0.79 ALDH1A1 (0.64) IDO1KMT2ALMNAMAPTCA12
SCHEMBL11222729 0.79 IDO1 (0.47) IDO1KMT2ALMNAMAPTCA12
SCHEMBL11216382 0.79 IDO1 (0.47) IDO1KMT2ALMNAMAPTCA12
SCHEMBL18449581 0.78 APP (0.60) KMT2ALMNAMAPTRAB9AAPP
SCHEMBL18449560 0.78 IDO1 (0.50) IDO1KMT2AMAPTRAB9AMAPK1

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-9975887-B2 Compounds as ROR gamma modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2018-05-22 US disclosed
US-20170233380-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2017-08-17 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-20170233380-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS RORB, RORA, RORC ACHE 1136/4885HSD17B10 2625/4885IDO1 2922/4885

“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.