SCHEMBL2534712

SCHEMBL2534712

N#Cc1ccccc1C1=C2C=CC(=N2)C(c2ccccc2C#N)=C2C=CC(=N2)C(c2ccccc2C#N)=C2C=CC(=N2)C(c2ccccc2C#N)=C2C=CC1=N2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 1/20 0.41
▸ GABRG2 P18507 1/20 0.36
▸ GABRB3 P28472 1/20 0.36
▸ GABRA5 P31644 1/20 0.36
▸ GABRA3 P34903 1/20 0.36
▸ TSHR P16473 2/20 0.35
▸ TRPA1 O75762 1/20 0.35
▸ CYP1A2 P05177 4/20 0.34
▸ CYP3A4 P08684 4/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ HSD17B10 Q99714 3/20 0.34
▸ CLK4 Q9HAZ1 3/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ PTGES O14684 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ USP8 P40818 1/20 0.33
▸ USP7 Q93009 1/20 0.33
▸ PTPN5 P54829 1/20 0.33
▸ USP2 O75604 2/20 0.32
▸ CYP2D6 P10635 2/20 0.32

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
SCHEMBL3118129 0.72 ALDH1A1 (0.46) CYP3A4ALDH1A1HSD17B10HPGDMEN1
SCHEMBL9718917 0.72 CYP2A6 (0.40) TSHRALDH1A1HSD17B10HPGDLMNA
SCHEMBL5918765 0.72 IDO1 (0.35) —
SCHEMBL498541 0.72 ALDH1A1 (0.40) CYP3A4ALDH1A1HSD17B10MAPK1HPGD
SCHEMBL29412287 0.71 ESR2 (0.60) ESR2GABRG2GABRB3GABRA5GABRA3
SCHEMBL222 0.71 ESR2 (0.60) ESR2GABRG2GABRB3GABRA5GABRA3
SCHEMBL21174848 0.68 ALDH1A1 (0.41) TSHRCYP3A4ALDH1A1HSD17B10HPGD
SCHEMBL10570890 0.68 ALDH1A1 (0.44) ALDH1A1HSD17B10MAPK1HPGDLMNA
SCHEMBL6394393 0.68 MAPT (0.36) ALDH1A1HSD17B10MAPK1HPGDUSP2
SCHEMBL2520450 0.68 HSD11B1 (0.42) TSHRTRPA1CYP1A2CYP3A4ALDH1A1

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
US-9670217-B2 Process for preparing chlorins and their pharmaceutical uses UNIVERSIDADE DE COIMBRA (PT) 2017-06-06 — — US disclosed
EP-2346874-B1 PROCESS FOR PREPARING CHLORINS AND THEIR PHARMACEUTICAL USES UNIV DE COIMBRA (PT) 2013-12-04 — — EP disclosed
US-20110250143-A1 PROCESS FOR PREPARING CHLORINS AND THEIR PHARMACEUTICAL USES UNIVERSIDADE DE COIMBRA (PT) 2011-10-13 — — 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-20110250143-A1 PROCESS FOR PREPARING CHLORINS AND THEIR PHARMACEUTICAL USES CD68, HMBS, MKI67 ESR2 3100/4885GABRG2 2682/4885GABRB3 3218/4885

“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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