SCHEMBL13622275

SCHEMBL13622275

CC1N=C(c2cccc(F)c2)SC1C(=O)NCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 2/20 0.45
▸ SRC P12931 2/20 0.44
▸ POLB P06746 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ TP53 P04637 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ MC4R P32245 1/20 0.38
▸ PTGER4 P35408 1/20 0.38

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
SCHEMBL14162295 0.73 ALDH1A1 (0.46) LMNACYP2D6TSHRCYP2C19MC4R
SCHEMBL14162253 0.72 ALDH1A1 (0.38) RAB9ALMNATSHRMC4R
SCHEMBL13541755 0.66 P2RX7 (0.44) ATMPOLBMC4R
SCHEMBL14047581 0.66 ALDH1A1 (0.45) POLBRAB9ACYP3A4CYP2C19MC4R
SCHEMBL4294474 0.66 HPGD (0.63) —
SCHEMBL14162398 0.65 HTT (0.45) POLBTP53LMNAMC4R
SCHEMBL3109722 0.65 SRC (0.61) SRCPOLBRAB9ATP53CYP1A2
SCHEMBL29699631 0.65 SRC (0.61) SRCPOLBRAB9ATP53CYP1A2
SCHEMBL14162622 0.65 HPGD (0.50) POLBTP53LMNACYP1A2CYP3A4
SCHEMBL28229572 0.64 SRC (0.90) SRCPOLBRAB9ATP53LMNA

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-20090286261-A1 METHOD FOR ASSAYING COMPOUNDS OR AGENTS FOR ABILITY TO DISPLACE POTENT LIGANDS OF HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE CAYMAN CHEMICAL COMPANY (US) 2009-11-19 — — 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-20090286261-A1 METHOD FOR ASSAYING COMPOUNDS OR AGENTS FOR ABILITY TO DISPLACE POTENT LIGANDS OF HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE HPGDS, HPGD, GMDS ATM 4860/4885SRC 4414/4885POLB 2920/4885

“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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