SCHEMBL17954024

SCHEMBL17954024

Cc1ccc(/C=C/c2ccnc(-c3cc(C(F)(F)F)n[nH]3)c2)s1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ MEN1 O00255 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ HDAC1 Q13547 1/20 0.32
▸ HPGD P15428 1/20 0.30
▸ APOBEC3G Q9HC16 1/20 0.30

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
SCHEMBL18674784 0.88 HDAC1 (0.33) HDAC1
SCHEMBL15907859 0.81 — —
SCHEMBL15926092 0.81 PTGS1 (0.36) PTGS1PTGS2MAPTRAB9AKMT2A
SCHEMBL18866739 0.81 HDAC1 (0.34) HDAC1
SCHEMBL2687309 0.80 GRM4 (0.40) MEN1KMT2AHDAC1HPGD
SCHEMBL2687315 0.80 GRM4 (0.40) MEN1KMT2AHDAC1HPGD
SCHEMBL18678745 0.79 IDO1 (0.37) PTGS2MAPT
SCHEMBL10029160 0.77 HDAC1 (0.47) PTGS1PTGS2MAPTRAB9AHDAC1
SCHEMBL18785519 0.77 HDAC1 (0.55) PTGS1PTGS2MEN1MAPTRAB9A
SCHEMBL2685399 0.76 CCR1 (0.48) PTGS1PTGS2MEN1KMT2AHPGD

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-20170092435-A1 PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, METAL COMPLEX DYE, DYE SOLUTION, AND TERPYRIDINE COMPOUND OR ESTERIFIED PRODUCT THEREOF FUJIFILM CORPORATION (JP) 2017-03-30 — — US disclosed
US-20160217936-A1 PHOTOELECTRIC CONVERSION ELEMENT SHARP KABUSHIKI KAISHA (JP) 2016-07-28 — — 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-20170092435-A1 PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, METAL COMPLEX DYE, DYE SOLUTION, AND TERPYRIDINE COMPOUND OR ESTERIFIED PRODUCT THEREOF CRY2, CACNA1S, CACNA1E PTGS1 3888/4885PTGS2 3275/4885MEN1 202/4885

“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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