SCHEMBL19797421

SCHEMBL19797421

Cc1nc(P(=O)(c2ccccc2)c2ccc(Br)c(C)n2)ccc1Br

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 5/20 0.42
▸ ALDH1A1 P00352 5/20 0.40
▸ RAB9A P51151 4/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ MAPT P10636 5/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ HTT P42858 2/20 0.38
▸ RECQL P46063 1/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ LMNA P02545 2/20 0.35
▸ HSD17B10 Q99714 1/20 0.35

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
SCHEMBL19797427 0.97 NPSR1 (0.42) NPSR1ALDH1A1RAB9ANPC1MAPK1
SCHEMBL19797426 0.91 NPSR1 (0.38) NPSR1ALDH1A1RAB9ANPC1MAPK1
SCHEMBL31690210 0.76 RAB9A (0.38) ALDH1A1RAB9ANPC1MAPK1MAPT
SCHEMBL16161519 0.73 ALDH1A1 (0.38) NPSR1ALDH1A1MAPTMEN1KMT2A
SCHEMBL18092523 0.69 ALDH1A1 (0.38) NPSR1ALDH1A1MAPTMEN1KMT2A
SCHEMBL31619841 0.69 ALDH1A1 (0.38) NPSR1ALDH1A1MAPTMEN1KMT2A
SCHEMBL14000340 0.69 HTT (0.43) NPSR1ALDH1A1MAPTMEN1KMT2A
SCHEMBL11991110 0.68 NPSR1 (0.40) NPSR1ALDH1A1MAPTMEN1KMT2A
SCHEMBL11991055 0.68 CA2 (0.38) NPSR1ALDH1A1MAPTMEN1KMT2A
SCHEMBL9927376 0.68 FBP1 (0.41) NPSR1ALDH1A1RAB9AMAPK1MAPT

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-20180026206-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2018-01-25 — — 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-20180026206-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CYP1A1, CYP1B1 NPSR1 4005/4885ALDH1A1 24/4885RAB9A 2443/4885

“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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