SCHEMBL1429697

SCHEMBL1429697

NC(=O)C(CCl)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
ALDH1A1 P00352 5/20 0.47
LMNA P02545 2/20 0.45
GAA P10253 1/20 0.45
NPC1 O15118 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
CYP3A4 P08684 1/20 0.43
MARS2 Q96GW9 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
CES1 P23141 1/20 0.43
PLAU P00749 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 1/20 0.41
IDO1 P14902 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
SCHEMBL22500635 0.83 TSHR (0.49) TSHRALDH1A1LMNAGAANPC1
SCHEMBL6462715 0.83 TSHR (0.49) TSHRALDH1A1LMNAGAANPC1
Hydrochloric Acid SCHEMBL1647739 0.82 TSHR (0.47) TSHRALDH1A1LMNAGAANPC1
SCHEMBL6625969 0.78 EPHX1 (0.69) ALDH1A1NPC1SMN1; SMN2CYP2C19KMT2A
SCHEMBL11770993 0.77 TSHR (0.53) TSHRALDH1A1LMNAGAANPC1
SCHEMBL31633421 0.77 ALDH1A1 (0.51) TSHRALDH1A1LMNAKMT2AMEN1
SCHEMBL5201018 0.75 MEN1 (0.60) TSHRALDH1A1LMNAGAANPC1
SCHEMBL27463551 0.75 ALDH1A1 (0.68) TSHRALDH1A1LMNANPC1SMN1; SMN2
SCHEMBL1108434 0.75 ALDH1A1 (0.68) TSHRALDH1A1LMNANPC1SMN1; SMN2
SCHEMBL27503218 0.75 ALDH1A1 (0.49) TSHRALDH1A1NPC1KMT2AMEN1

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
EP-2300460-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES Wyeth LLC (US) 2011-03-30 EP disclosed
WO-2009155042-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-12-23 WO disclosed
US-20090311217-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-12-17 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-20090311217-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, RICTOR, PDPK1 TSHR 3312/4885ALDH1A1 2736/4885LMNA 4283/4885

“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.