SCHEMBL5535989

SCHEMBL5535989

O=C(Cl)c1ccc(C(=O)c2cc([N+](=O)[O-])ccc2Cl)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
RORC P51449 7/20 0.48
KMT2A Q03164 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MEN1 O00255 3/20 0.48
CYP3A4 P08684 2/20 0.48
MAPK1 P28482 2/20 0.48
PPARG P37231 2/20 0.48
LMNA P02545 2/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C9 P11712 1/20 0.48
PKM P14618 1/20 0.48
TSHR P16473 1/20 0.48
NFKB1 P19838 1/20 0.48
CYP2C19 P33261 1/20 0.48
THPO P40225 1/20 0.48

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
SCHEMBL5532565 0.89 RORC (0.51) KDM4ENPSR1RORCKMT2ASMN1; SMN2
SCHEMBL10953243 0.82 HSD17B10 (0.62) KDM4ENPSR1RORCKMT2ASMN1; SMN2
SCHEMBL5539008 0.81 KDM4E (0.57) KDM4ENPSR1RORCKMT2ASMN1; SMN2
SCHEMBL398463 0.80 HSD17B10 (0.60) KDM4ENPSR1RORCKMT2ASMN1; SMN2
Methane SCHEMBL28180987 0.79 HSD17B10 (0.58) KDM4ENPSR1RORCKMT2ASMN1; SMN2
SCHEMBL5532280 0.78 CYP1A2 (0.62) KDM4ENPSR1RORCKMT2ASMN1; SMN2
SCHEMBL5537378 0.78 KMT2A (0.56) NPSR1KMT2ASMN1; SMN2CYP3A4MAPK1
SCHEMBL10902402 0.76 NPSR1 (0.71) KDM4ENPSR1RORCKMT2ASMN1; SMN2
SCHEMBL5544446 0.76 KDM4E (0.47) KDM4ENPSR1RORCKMT2ASMN1; SMN2
SCHEMBL9383327 0.75 RORC (0.61) KDM4ENPSR1RORCKMT2ASMN1; SMN2

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-7186716-B2 3-Pyrrol-pyridopyrazoles and 3-pyrrolyl-indazoles as novel kinase inhibitors SUGEN, INC. (US) 2007-03-06 US disclosed
US-20040092546-A1 3-Pyrrol-pyridopyrazoles and 3-pyrrolyl-indazoles as novel kinase inhibitors SUGEN, INC. 2004-05-13 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-20040092546-A1 3-Pyrrol-pyridopyrazoles and 3-pyrrolyl-indazoles as novel kinase inhibitors MAP3K19, MAP3K1, MAP3K7 KDM4E 1574/4885NPSR1 3418/4885RORC 2594/4885

“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.