SCHEMBL2817090

SCHEMBL2817090

Cc1c(-c2ccc(F)cc2)nc2ccc(I)cn12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 6/20 0.53
▸ CYP11B2 P19099 6/20 0.53
▸ GABRA1 P14867 3/20 0.43
▸ GABRB2 P47870 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ TP53 P04637 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ NR1H4 Q96RI1 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.40
▸ ALDH1A3 P47895 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ SIRT5 Q9NXA8 1/20 0.38
▸ SLC2A1 P11166 1/20 0.37
▸ MAPK13 O15264 1/20 0.37
▸ GCGR P47871 1/20 0.37
▸ MAPK12 P53778 1/20 0.37
▸ MAPK11 Q15759 1/20 0.37

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 0.85 MAPT (0.44) CYP11B1CYP11B2MAPTTP53KDM4E
SCHEMBL2906472 0.84 GABRA1 (0.42) CYP11B1CYP11B2GABRA1GABRB2MAPT
Bromide SCHEMBL2818346 0.84 MAPT (0.43) CYP11B1CYP11B2MAPTTP53KDM4E
SCHEMBL2817254 0.79 ALOX5 (0.48) CYP11B1CYP11B2MAPTPOLBKDM4E
SCHEMBL2815003 0.77 HRH3 (0.39) CYP11B1CYP11B2MAPTNR1H4KDM4E
SCHEMBL22627469 0.75 CYP11B1 (0.56) CYP11B1CYP11B2GABRA1GABRB2MAPT
SCHEMBL22627410 0.75 NPC1 (0.72) CYP11B1CYP11B2MAPTPOLBNR1H4
SCHEMBL13177316 0.74 TP53 (0.62) CYP11B1CYP11B2GABRA1GABRB2MAPT
SCHEMBL19495214 0.73 SLC2A1 (0.54) CYP11B1CYP11B2MAPTTP53KDM4E
SCHEMBL7998877 0.73 MCHR1 (0.36) CYP11B1CYP11B2POLBALDH1A1

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 CYP11B1 2794/4885CYP11B2 3185/4885GABRA1 1989/4885

“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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