SCHEMBL19219785

SCHEMBL19219785

CSCc1cccc([N+](=O)O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.40
▸ HTT P42858 3/20 0.40
▸ POLB P06746 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ EPHX1 P07099 1/20 0.36
▸ MAPT P10636 3/20 0.36
▸ HPGD P15428 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ MAOA P21397 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ KDM1A O60341 1/20 0.34
▸ RCOR1 Q9UKL0 1/20 0.34
▸ SLC11A2 P49281 1/20 0.34
▸ MEN1 O00255 1/20 0.34

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
SCHEMBL2716313 0.82 TSHR (0.61) ALDH1A1HTTPOLBLMNATSHR
SCHEMBL18433792 0.81 ALDH1A1 (0.39) ALDH1A1HTTPOLBLMNATSHR
SCHEMBL17347330 0.77 TSHR (0.44) ALDH1A1LMNATSHRCYP1A2CYP2D6
SCHEMBL3014825 0.76 SLC11A2 (0.46) ALDH1A1HTTLMNACYP1A2CYP2D6
SCHEMBL19220255 0.74 LMNA (0.35) LMNAEPHX1
SCHEMBL14793409 0.74 EPHX1 (0.31) CYP1A2CYP2C9CYP2C19EPHX1
SCHEMBL19220492 0.74 TSHR (0.39) ALDH1A1LMNATSHRCYP1A2CYP2D6
SCHEMBL17347353 0.73 TSHR (0.55) ALDH1A1HTTPOLBLMNATSHR
SCHEMBL14134783 0.73 AKR1B1 (0.52) ALDH1A1HTTPOLBLMNATSHR
SCHEMBL14551073 0.71 TSHR (0.43) ALDH1A1HTTPOLBLMNATSHR

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-9902716-B2 Fluorinated benzofuranyl-pyrimidine derivatives containing a sulfone group BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-02-27 — — US disclosed
US-20170226092-A1 FLUORINATED BENZOFURANYL-PYRIMIDINE DERIVATIVES CONTAINING A SUFLONE GROUP BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-08-10 — — 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-20170226092-A1 FLUORINATED BENZOFURANYL-PYRIMIDINE DERIVATIVES CONTAINING A SUFLONE GROUP FANCF, FLI1, FANCD2 ALDH1A1 189/4885HTT 4344/4885POLB 552/4885

“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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