SCHEMBL2520450

SCHEMBL2520450

FC(F)(F)c1ccccc1C1=C2C=CC(=N2)C(c2ccccc2C(F)(F)F)=C2C=CC(=N2)C(c2ccccc2C(F)(F)F)=C2C=CC(=N2)C(c2ccccc2C(F)(F)F)=C2C=CC1=N2

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 5/20 0.42
▸ NOTUM Q6P988 2/20 0.40
▸ CYP3A4 P08684 4/20 0.39
▸ CYP1A2 P05177 3/20 0.39
▸ BACE1 P56817 1/20 0.38
▸ PSMB8 P28062 1/20 0.37
▸ TRPA1 O75762 3/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ ALOX15 P16050 2/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ HPGD P15428 1/20 0.35
▸ AR P10275 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
SCHEMBL5918765 0.76 IDO1 (0.35) —
SCHEMBL3118129 0.72 ALDH1A1 (0.46) CYP3A4ALDH1A1ALOX15HSD17B10TDP1
SCHEMBL9718917 0.72 CYP2A6 (0.40) HSD11B1NOTUMBACE1ALDH1A1HSD17B10
SCHEMBL197671 0.71 HSD11B1 (0.56) HSD11B1NOTUMCYP3A4CYP1A2PSMB8
SCHEMBL8022901 0.69 HSD11B1 (0.54) HSD11B1NOTUMCYP3A4CYP1A2PSMB8
Hydrochloric Acid SCHEMBL29010139 0.69 HSD11B1 (0.54) HSD11B1NOTUMCYP3A4CYP1A2PSMB8
SCHEMBL6394393 0.68 MAPT (0.36) ALDH1A1MAPK1HSD17B10TDP1HPGD
SCHEMBL21174848 0.68 ALDH1A1 (0.41) CYP3A4ALDH1A1ALOX15HSD17B10TSHR
SCHEMBL2534712 0.68 ESR2 (0.41) CYP3A4CYP1A2TRPA1ALDH1A1MAPK1
SCHEMBL10570890 0.68 ALDH1A1 (0.44) ALDH1A1MAPK1HSD17B10HPGD

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 HSD11B1 4484/4885NOTUM 3134/4885CYP3A4 3704/4885

“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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