Sugi Predict

Sugi Predict / Compounds / SCHEMBL3947464

SCHEMBL3947464

SCHEMBL3947464

CC[N]c1cccc(C)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ HTR1B P28222 1/20 0.36
▸ CYP3A4 P08684 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2A6 P11509 1/20 0.35
▸ GAA P10253 2/20 0.34
▸ TSHR P16473 4/20 0.33
▸ MAPT P10636 4/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ RAB9A P51151 3/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33

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
SCHEMBL442008 0.81 TSHR (0.43) CA1CA2CA7CA9CYP3A4
SCHEMBL29364976 0.75 SMN1; SMN2 (0.47) TRPA1ATMCA1CA2CA7
SCHEMBL10106300 0.75 SMN1; SMN2 (0.47) TRPA1ATMCA1CA2CA7
SCHEMBL49551 0.75 TRPA1 (0.46) TRPA1ATMCA1CA2CA7
SCHEMBL11696808 0.75 SMN1; SMN2 (0.47) TRPA1ATMCA1CA2CA7
SCHEMBL4394449 0.73 TRPA1 (0.44) TRPA1ATMCA1CA2CA7
SCHEMBL10519321 0.73 MAPT (0.43) TRPA1ATMCA1CA2CA7
SCHEMBL21649996 0.72 CYP2C9 (0.40) TRPA1ATMHTR1BCYP3A4CYP1A2
Propane SCHEMBL27657934 0.72 TRPA1 (0.52) TRPA1ATMCA1CA2CA7
SCHEMBL3778547 0.71 TRPA1 (0.42) TRPA1ATMCA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009023669-A1 SUBSTITUTED 5,6,7,8-TETRAHYDROQUINOLINE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE THEREOF JANSSEN PHARMACEUTICA N.V. (BE) 2009-02-19 — — WO claimed
US-20090048295-A1 SUBSTITUTED 5,6,7,8-TETRAHYDROQUINOLINE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE THEREOF JANSSEN PHARMACEUTICE N.V. (BE) 2009-02-19 — — US claimed
WO-2009023669-A1 SUBSTITUTED 5,6,7,8-TETRAHYDROQUINOLINE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE THEREOF JANSSEN PHARMACEUTICA N.V. (BE) 2009-02-19 — — WO disclosed
US-20090048295-A1 SUBSTITUTED 5,6,7,8-TETRAHYDROQUINOLINE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE THEREOF JANSSEN PHARMACEUTICE N.V. (BE) 2009-02-19 — — US disclosed
US-4576753-A MICROBIOCIDES, ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-03-18 — — US disclosed
US-4472309-A ANTIMICROBIAL FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-09-18 — — US disclosed
US-4304718-A ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-12-08 — — US disclosed
US-4181800-A ANTIBIOTICS FROM SUBSTITUTED PERHYDRO-S-TRIAZINES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-01-01 — — 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-20090048295-A1 SUBSTITUTED 5,6,7,8-TETRAHYDROQUINOLINE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE THEREOF C3AR1, C5AR1, C5AR2 TRPA1 1698/4885ATM 2934/4885CA1 3778/4885

“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.