SCHEMBL3913784

SCHEMBL3913784

Cc1cc2oc(=O)cc(OCCCN(C)C)c2cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSF1R P07333 1/20 0.43
▸ KDR P35968 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ KCNA3 P22001 1/20 0.43
▸ CYP1A2 P05177 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ MAOA P21397 2/20 0.39
▸ MAOB P27338 2/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ POLB P06746 1/20 0.39

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
Trifluoroacetic Acid SCHEMBL3913694 0.89 ALDH1A1 (0.44) CSF1RKDRALDH1A1SMN1; SMN2KCNA3
SCHEMBL5728201 0.84 CYP1A2 (0.51) CSF1RKDRALDH1A1SMN1; SMN2KCNA3
SCHEMBL3909739 0.83 KCNA3 (0.45) ALDH1A1SMN1; SMN2KCNA3CYP1A2CYP2C19
SCHEMBL3912613 0.81 KCNA3 (0.67) KCNA3MAOBSIGMAR1HTR1B
SCHEMBL3915208 0.80 KCNA3 (0.46) CSF1RALDH1A1SMN1; SMN2KCNA3MAPT
Hydrochloric Acid SCHEMBL3910957 0.80 KCNA3 (0.65) KCNA3MAOBSIGMAR1HTR1B
SCHEMBL3922052 0.79 CYP2D6 (0.61) CSF1RKDRALDH1A1KCNA3CYP2D6
Hydrochloric Acid SCHEMBL3921281 0.79 KCNA3 (0.45) CSF1RALDH1A1SMN1; SMN2KCNA3MAPT
SCHEMBL13842119 0.78 MAOB (0.50) CSF1RKDRKCNA3MAOAMAOB
Hydrochloric Acid SCHEMBL3912601 0.78 CYP2D6 (0.60) CSF1RKDRALDH1A1KCNA3CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1667988-A1 COUMARINS AS INOS INHIBITORS Aventis Pharmaceuticals Inc. (US) 2006-06-14 — — EP claimed
WO-2005026143-A1 COUMARINS AS INOS INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2005-03-24 — — WO claimed
US-20050054681-A1 Coumarins as iNOS inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2005-03-10 — — US claimed
US-7538233-B2 Coumarins as iNOS inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2009-05-26 — — US disclosed
US-7538233-B2 Coumarins as iNOS inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2009-05-26 — — US disclosed
US-7538233-B2 Coumarins as iNOS inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2009-05-26 — — US disclosed
US-20050054681-A1 Coumarins as iNOS inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2005-03-10 — — 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-20050054681-A1 Coumarins as iNOS inhibitors NOS2, NOS1, NOS3 CSF1R 1091/4885KDR 1139/4885ALDH1A1 169/4885

“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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