SCHEMBL2817254

SCHEMBL2817254

Cc1c(-c2ccc([N+](=O)[O-])cc2)nc2ccc(I)cn12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.48
▸ ALDH1A1 P00352 4/20 0.44
▸ RAB9A P51151 4/20 0.44
▸ NPC1 O15118 3/20 0.44
▸ LMNA P02545 2/20 0.44
▸ GAA P10253 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ STAT3 P40763 1/20 0.44
▸ CASP3 P42574 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ SENP7 Q9BQF6 1/20 0.44
▸ SENP6 Q9GZR1 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ MAPT P10636 4/20 0.42
▸ SLC2A1 P11166 3/20 0.42
▸ KMT2A Q03164 3/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ TSPO P30536 1/20 0.40

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
SCHEMBL2815533 0.79 MAPT (0.44) ALOX5ALDH1A1RAB9ANPC1LMNA
Bromide SCHEMBL2818346 0.78 MAPT (0.43) ALOX5ALDH1A1RAB9ANPC1LMNA
SCHEMBL2815003 0.72 HRH3 (0.39) ALOX5ALDH1A1RAB9ANPC1GAA
SCHEMBL1988355 0.71 RAB9A (0.68) ALDH1A1RAB9ANPC1LMNAGAA
SCHEMBL4311317 0.71 MAPT (0.57) ALDH1A1RAB9ANPC1LMNAGAA
SCHEMBL1691790 0.71 ALOX5 (0.56) ALOX5ALDH1A1RAB9ANPC1LMNA
SCHEMBL15110953 0.69 KDM4C (0.34) ALDH1A1RAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL13177316 0.69 TP53 (0.62) ALOX5ALDH1A1RAB9ANPC1LMNA
SCHEMBL1691399 0.68 TSPO (0.57) ALOX5ALDH1A1RAB9ANPC1LMNA
SCHEMBL7998877 0.68 MCHR1 (0.36) ALDH1A1GAAPOLBSMN1; SMN2KMT2A

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-20100249418-A1 NOVEL COMPOUND HAVING AFFINITY FOR AMYLOID NIHON MEDI-PHYSICS CO., LTD. (JP) 2010-09-30 — — US disclosed
EP-2213672-A1 NOVEL COMPOUND HAVING AFFINITY FOR AMYLOID Nihon Medi-Physics Co., Ltd. (JP) 2010-08-04 — — EP 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-20100249418-A1 NOVEL COMPOUND HAVING AFFINITY FOR AMYLOID APP, APBA1, C1QBP ALOX5 3691/4885ALDH1A1 1923/4885RAB9A 2842/4885

“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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