SCHEMBL19104773

SCHEMBL19104773

C=CCCC(Br)C(=O)c1ccncc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ CYP1A2 P05177 3/20 0.39
▸ CYP3A4 P08684 3/20 0.39
▸ CA1 P00915 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ NAPRT Q6XQN6 1/20 0.37
▸ CYP2D6 P10635 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ MPO P05164 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.37
▸ CYP2A6 P11509 1/20 0.37
▸ SNCA P37840 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ PLOD2 O00469 1/20 0.35
▸ PLOD3 O60568 1/20 0.35
▸ CYP2C9 P11712 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
SCHEMBL19104774 0.73 RAB9A (0.51) SMN1; SMN2CYP1A2CYP3A4GAACYP2D6
SCHEMBL5353045 0.70 GSK3B (0.56) CYP1A2CYP3A4GAANAPRTCYP2D6
SCHEMBL7428115 0.68 NAPRT (0.45) CYP1A2CYP3A4GAANAPRTCYP2D6
SCHEMBL7933884 0.67 NAPRT (0.48) CYP1A2CYP3A4GAANAPRTCYP2D6
SCHEMBL1887807 0.67 CYP1A2 (0.51) CYP1A2CYP3A4GAANAPRTCYP2D6
SCHEMBL31484455 0.67 SMN1; SMN2 (0.36) SMN1; SMN2CYP1A2CYP3A4CYP2C19KDM4E
SCHEMBL476302 0.67 — —
Bromide SCHEMBL4188500 0.66 CYP1A2 (0.50) CYP1A2CYP3A4GAANAPRTCYP2D6
SCHEMBL4962554 0.66 SMN1; SMN2 (0.55) SMN1; SMN2CYP1A2CYP3A4CA1GAA
SCHEMBL18949188 0.66 LMNA (0.55) CYP1A2CYP3A4NAPRTCYP2D6CYP2C19

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10633377-B2 Imidazole and thiazole compositions for modifying biological signaling OHIO UNIVERSITY (US) 2020-04-28 — — US disclosed
US-10407420-B2 Imidazole and thiazole compositions for modifying biological signaling OHIO UNIVERSITY (US) 2019-09-10 — — US disclosed
US-10392381-B2 Prevention and treatment of non-alcoholic fatty liver disease OHIO UNIVERSITY (US) 2019-08-27 — — US disclosed
US-10023567-B2 Imidazole and thiazole compositions for modifying biological signaling OHIO UNIVERSITY (US) 2018-07-17 — — US disclosed
US-10023567-B2 Imidazole and thiazole compositions for modifying biological signaling OHIO UNIVERSITY (US) 2018-07-17 — — US disclosed
US-20170210737-A1 IMIDAZOLE AND THIAZOLE COMPOSITIONS FOR MODIFYING BIOLOGICAL SIGNALING OHIO UNIVERSITY (US) 2017-07-27 — — US disclosed
US-20170210737-A1 IMIDAZOLE AND THIAZOLE COMPOSITIONS FOR MODIFYING BIOLOGICAL SIGNALING OHIO UNIVERSITY (US) 2017-07-27 — — US disclosed
US-20170202818-A1 METHODS AND COMPOSITIONS TO MODIFY GSK-3 ACTIVITY OHIO UNIVERSITY (US) 2017-07-20 — — US disclosed
US-20170202818-A1 METHODS AND COMPOSITIONS TO MODIFY GSK-3 ACTIVITY OHIO UNIVERSITY (US) 2017-07-20 — — US disclosed
US-20170196845-A1 PREVENTION AND TREATMENT OF NON-ALCOHOLIC FATTY LIVER DISEASE OHIO UNIVERSITY (US) 2017-07-13 — — US disclosed
US-20170196845-A1 PREVENTION AND TREATMENT OF NON-ALCOHOLIC FATTY LIVER DISEASE OHIO UNIVERSITY (US) 2017-07-13 — — 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 (7 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-10392381-B2 Prevention and treatment of non-alcoholic fatty liver disease FABP1, LIPC, SLC10A1 SMN1; SMN2 3263/4885CYP1A2 185/4885CYP3A4 516/4885
US-10407420-B2 Imidazole and thiazole compositions for modifying biological signaling TYRO3, FGFR1, STAT6 SMN1; SMN2 4867/4885CYP1A2 322/4885CYP3A4 289/4885
US-20170196845-A1 PREVENTION AND TREATMENT OF NON-ALCOHOLIC FATTY LIVER DISEASE FABP1, LIPC, SLC10A1 SMN1; SMN2 3263/4885CYP1A2 185/4885CYP3A4 516/4885
US-10633377-B2 Imidazole and thiazole compositions for modifying biological signaling TYRO3, FGFR1, STAT6 SMN1; SMN2 4866/4885CYP1A2 314/4885CYP3A4 282/4885
US-20170210737-A1 IMIDAZOLE AND THIAZOLE COMPOSITIONS FOR MODIFYING BIOLOGICAL SIGNALING FGFR1, TYRO3, STAT6 SMN1; SMN2 4873/4885CYP1A2 416/4885CYP3A4 375/4885
US-10023567-B2 Imidazole and thiazole compositions for modifying biological signaling FGFR1, TYRO3, STAT6 SMN1; SMN2 4873/4885CYP1A2 416/4885CYP3A4 375/4885
US-20170202818-A1 METHODS AND COMPOSITIONS TO MODIFY GSK-3 ACTIVITY GSK3B, GSK3A, GSKIP SMN1; SMN2 398/4885CYP1A2 3932/4885CYP3A4 4195/4885

“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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