SCHEMBL1458948

SCHEMBL1458948

O=C(CCc1ccccc1)Nc1nccs1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 3/20 0.67
▸ SMN1; SMN2 Q16637 2/20 0.67
▸ L3MBTL1 Q9Y468 2/20 0.67
▸ ALDH1A1 P00352 6/20 0.65
▸ LMNA P02545 2/20 0.65
▸ TSHR P16473 2/20 0.65
▸ USP2 O75604 1/20 0.65
▸ HRH1 P35367 1/20 0.64
▸ GAA P10253 1/20 0.64
▸ KDM4E B2RXH2 2/20 0.62
▸ POLB P06746 2/20 0.62
▸ RAB9A P51151 2/20 0.62
▸ HPGD P15428 2/20 0.62
▸ CYP1A2 P05177 1/20 0.62
▸ CYP3A4 P08684 1/20 0.62
▸ CYP2D6 P10635 1/20 0.62
▸ CYP2C9 P11712 1/20 0.62
▸ CYP2C19 P33261 1/20 0.62
▸ NPC1 O15118 1/20 0.62
▸ TP53 P04637 1/20 0.62

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
SCHEMBL18956343 0.92 ALDH1A1 (0.70) PKMSMN1; SMN2L3MBTL1ALDH1A1LMNA
SCHEMBL4687548 0.85 FFAR2 (0.74) SMN1; SMN2L3MBTL1ALDH1A1LMNATSHR
SCHEMBL24359465 0.84 ALDH1A1 (0.58) PKMSMN1; SMN2L3MBTL1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL29855979 0.84 FFAR2 (0.72) SMN1; SMN2L3MBTL1ALDH1A1LMNATSHR
SCHEMBL27524988 0.83 POLB (0.55) PKML3MBTL1ALDH1A1LMNATSHR
SCHEMBL9975588 0.83 ALDH1A1 (0.59) PKMSMN1; SMN2L3MBTL1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL11320626 0.81 SMN1; SMN2 (0.65) SMN1; SMN2L3MBTL1ALDH1A1LMNATSHR
SCHEMBL12522878 0.81 PKM (1.00) PKMSMN1; SMN2L3MBTL1ALDH1A1LMNA
SCHEMBL4290225 0.81 ADORA2A (0.68) PKMSMN1; SMN2RAB9ACYP3A4CYP2C9
SCHEMBL7777979 0.80 HPGD (0.64) PKMSMN1; SMN2L3MBTL1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2483280-A1 NEW AMINOACID DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS INHIBITORS OF ONCOGENIC SIGNALS BY THE MET FAMILY Université d'Aix-Marseille (FR) 2012-08-08 — — EP claimed
EP-2305688-A1 Novel aminoacids derivatives, their process of preparation and their therapeutical uses as MET inhibitors Université de la Méditerranée - Aix-Marseille II (FR) 2011-04-06 — — EP claimed
WO-2011036303-A1 NEW AMINOACID DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS INHIBITORS OF ONCOGENIC SIGNALS BY THE MET FAMILY UNIVERSITE DE LA MEDITERRANEE AIX-MARSEILLE II (FR) 2011-03-31 — — WO claimed
EP-2483280-A1 NEW AMINOACID DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS INHIBITORS OF ONCOGENIC SIGNALS BY THE MET FAMILY Université d'Aix-Marseille (FR) 2012-08-08 — — EP disclosed
EP-2305688-A1 Novel aminoacids derivatives, their process of preparation and their therapeutical uses as MET inhibitors Université de la Méditerranée - Aix-Marseille II (FR) 2011-04-06 — — EP disclosed
WO-2011036303-A1 NEW AMINOACID DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS INHIBITORS OF ONCOGENIC SIGNALS BY THE MET FAMILY UNIVERSITE DE LA MEDITERRANEE AIX-MARSEILLE II (FR) 2011-03-31 — — WO disclosed
WO-2009042294-A2 TISSUE-NONSPECIFIC ALKALINE PHOSPHATASE (TNAP) ACTIVATORS AND USES THEREOF BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-04-02 — — WO disclosed
US-20090053192-A1 TISSUE-NONSPECIFIC ALKALINE PHOSPHATASE (TNAP) ACTIVATORS AND USES THEREOF BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-02-26 — — US disclosed
US-20090053192-A1 TISSUE-NONSPECIFIC ALKALINE PHOSPHATASE (TNAP) ACTIVATORS AND USES THEREOF BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-02-26 — — 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-20090053192-A1 TISSUE-NONSPECIFIC ALKALINE PHOSPHATASE (TNAP) ACTIVATORS AND USES THEREOF ALPL, ALPP, ACP3 PKM 2173/4885SMN1; SMN2 4549/4885L3MBTL1 3372/4885

“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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