SCHEMBL16746560

SCHEMBL16746560

CCCN(CCCS(=O)(=O)O)c1ccc(C#N)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 2/20 0.40
▸ FNTA P49354 2/20 0.37
▸ FNTB P49356 2/20 0.37
▸ PGGT1B P53609 2/20 0.37
▸ HCRTR2 O43614 1/20 0.37
▸ RORC P51449 2/20 0.36
▸ MGLL Q99685 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CNR2 P34972 1/20 0.35
▸ SLC16A3 O15427 2/20 0.35
▸ SLC16A1 P53985 2/20 0.35
▸ CYP2A6 P11509 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
SCHEMBL16749608 0.93 CYP19A1 (0.43) CYP19A1FNTAFNTBPGGT1BHCRTR2
SCHEMBL151232 0.82 CYP2A6 (0.48) RORCKDM4EMEN1USP2ALDH1A1
SCHEMBL353210 0.81 CNR2 (0.44) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL355489 0.81 CNR2 (0.44) KDM4EMEN1ALDH1A1GAAHPGD
SCHEMBL356422 0.79 CNR2 (0.46) ALDH1A1GAAMAPTCNR2SLC16A3
SCHEMBL156302 0.78 TSHR (0.46) MGLLKDM4EMEN1USP2ALDH1A1
SCHEMBL352862 0.78 RORC (0.47) RORCMEN1KMT2A
SCHEMBL29652165 0.76 KCNH2 (0.47) CYP19A1KDM4EMEN1USP2ALDH1A1
SCHEMBL13086215 0.76 CNR2 (0.41) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL14454643 0.76 TSHR (0.51) CYP19A1MGLLKDM4EALDH1A1HPGD

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-9371460-B2 Photopolymerization method, ink set, ink composition, and water-soluble biimidazole FUJIFILM CORPORATION (JP) 2016-06-21 — — US disclosed
US-20150148442-A1 PHOTOPOLYMERIZATION METHOD, INK SET, INK COMPOSITION, AND WATER-SOLUBLE BIIMIDAZOLE FUJIFILM CORPORATION (JP) 2015-05-28 — — 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-20150148442-A1 PHOTOPOLYMERIZATION METHOD, INK SET, INK COMPOSITION, AND WATER-SOLUBLE BIIMIDAZOLE JAK1, SETDB1, CCNI CYP19A1 2274/4885FNTA 4493/4885FNTB 3566/4885

“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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