SCHEMBL3846423

SCHEMBL3846423

Nc1c(C(=O)C(=O)Nc2ccncc2)c2ccc(C(=O)OC3CCCC3)cc2n1Cc1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 1/20 0.43
▸ S1PR3 Q99500 8/20 0.39
▸ TP53 P04637 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ MAPT P10636 3/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ NPSR1 Q6W5P4 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
SCHEMBL5779675 0.87 S1PR3 (0.53) S1PR3MAPT
SCHEMBL5773330 0.80 MAPT (0.56) S1PR3TP53MAPT
SCHEMBL4916084 0.72 CCR3 (0.43) HPGDMAPT
SCHEMBL3846422 0.71 TUBB4A (0.53) —
SCHEMBL6255149 0.69 TUBB4A (0.48) TP53MAPTLMNA
SCHEMBL14972834 0.67 MAPT (0.43) S1PR3TP53MAPTHTTLMNA
SCHEMBL2160503 0.67 FAAH (0.50) TP53MAPTNPC1RAB9ALMNA
SCHEMBL2168842 0.65 FAAH (0.64) TP53HPGDMAPT
SCHEMBL3847524 0.65 FAAH (0.54) TP53HPGDMAPTSMN1; SMN2LMNA
SCHEMBL14972847 0.62 MAPT (0.47) TP53MAPTHTTLMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7579365-B2 Indolyl-3-glyoxylic acid derivatives having antitumor action ZIOPHRAM ONCOLOGY, INC. (US) 2009-08-25 — — US disclosed
US-20030023093-A1 United states patent office ASTA MEDICA AKTIENGESELLSCHAFT 2003-01-30 — — US disclosed
US-6232327-B1 AND PHYSIOLOGICALLY TOLERABLE ACID ADDITION SALTS, N-OXIDES ASTA MEDICA AKTIENGESELLSCHAFT (DE) 2001-05-15 — — 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-20030023093-A1 United states patent office IDO1, IDO2, TDO2 ROCK2 3744/4885S1PR3 1448/4885TP53 426/4885

“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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