SCHEMBL18100963

SCHEMBL18100963

Cc1nc2ccc(F)cn2c1-c1cc([N+](=O)[O-])cc(Cl)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ GAA P10253 2/20 0.38
▸ PIK3CA P42336 2/20 0.38
▸ MTOR P42345 1/20 0.38
▸ MAP3K14 Q99558 2/20 0.37
▸ PIK3CD O00329 1/20 0.37
▸ PIK3R1 P27986 1/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ POLB P06746 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ STAT3 P40763 1/20 0.34
▸ CASP3 P42574 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL16739598 0.84 ALDH1A1 (0.35) ALDH1A1MAPTLMNAGAAMEN1
SCHEMBL16747875 0.80 PIK3CD (0.46) PIK3CAMTORMAP3K14PIK3CDPIK3R1
SCHEMBL18100965 0.77 KMT2A (0.39) MAPTMEN1KMT2APOLBSMN1; SMN2
SCHEMBL16540931 0.76 PIK3CA (0.40) ALDH1A1LMNAPIK3CAMTORMAP3K14
SCHEMBL16540834 0.75 MAP3K14 (0.39) ALDH1A1MAPTLMNAGAAPIK3CA
SCHEMBL16748021 0.74 CYP11B1 (0.43) PIK3CAMTORMAP3K14PIK3CDPIK3R1
SCHEMBL17943199 0.71 CDK2 (0.43) ALDH1A1MAPTLMNAGAAPIK3CA
SCHEMBL16739728 0.71 CYP11B1 (0.34) PIK3CAMTORMAP3K14PIK3CDPIK3R1
SCHEMBL16740179 0.67 ALDH1A1 (0.42) ALDH1A1MAPTRAB9AMEN1KMT2A
SCHEMBL899149 0.66 TSHR (0.48) ALDH1A1MAPTLMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160280685-A1 SUBSTITUTED PYRIDINE AND PYRAZINE BMI-1 INHIBITORS PTC THERAPEUTICS, INC. 2016-09-29 — — 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-20160280685-A1 SUBSTITUTED PYRIDINE AND PYRAZINE BMI-1 INHIBITORS BMI1, BAZ2A, BAZ2B ALDH1A1 1727/4885MAPT 4561/4885LMNA 3602/4885

“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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