SCHEMBL4030646

SCHEMBL4030646

COc1cc(-c2cccnc2)ccc1C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.67
MKNK1 Q9BUB5 2/20 0.61
MKNK2 Q9HBH9 2/20 0.61
CYP11B2 P19099 4/20 0.58
CYP19A1 P11511 3/20 0.58
CYP11B1 P15538 3/20 0.58
CYP17A1 P05093 2/20 0.58
MAPK1 P28482 2/20 0.55
KDM4E B2RXH2 2/20 0.55
HSD17B10 Q99714 1/20 0.55
PDGFRB P09619 1/20 0.52
PDGFRA P16234 1/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ERN1 O75460 1/20 0.52
POLB P06746 1/20 0.51
HTT P42858 1/20 0.51
MAPT P10636 2/20 0.51
NPY5R Q15761 1/20 0.51

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
SCHEMBL1911847 0.87 NPC1 (0.65) S1PR1MKNK1MKNK2CYP11B2CYP19A1
SCHEMBL11342031 0.86 KDM4E (0.70) S1PR1MKNK1MKNK2CYP11B2CYP19A1
SCHEMBL30196133 0.86 KDM4E (0.70) S1PR1MKNK1MKNK2CYP11B2CYP19A1
Hydrochloric Acid SCHEMBL11336399 0.85 KDM4E (0.68) S1PR1MKNK1MKNK2CYP11B2CYP19A1
SCHEMBL1422699 0.84 MAPK1 (0.80) S1PR1MAPK1KDM4EHSD17B10NPC1
SCHEMBL1133223 0.82 MKNK1 (0.56) S1PR1MKNK1MKNK2CYP11B2CYP19A1
SCHEMBL519862 0.82 HSD17B10 (0.65) MKNK1MKNK2CYP11B2CYP19A1CYP11B1
SCHEMBL10654961 0.82 MKNK1 (0.59) MKNK1MKNK2CYP11B2CYP19A1CYP11B1
SCHEMBL10000581 0.81 MKNK1 (0.49) S1PR1MKNK1MKNK2CYP11B2CYP19A1
SCHEMBL13417017 0.81 S1PR1 (1.00) S1PR1NPC1RAB9ASMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4227304-A2 THIADIAZOLE ANALOGS AND THEIR USE FOR TREATING DISEASES ASSOCIATED WITH A DEFICIENCY OF SMN MOTOR NEURONS Novartis AG (CH) 2023-08-16 EP disclosed
US-11642336-B2 5-HT2A agonists for use in treatment of depression Lophora ApS (DK) 2023-05-09 US disclosed
EP-3736271-A1 THIADIAZOLE ANALOGS AND THEIR USE FOR TREATING DISEASES ASSOCIATED WITH A DEFICIENCY OF SMN MOTOR NEURONS Novartis AG (CH) 2020-11-11 EP disclosed
US-20150218175-A1 THIADIAZOLE ANALOGS THEREOF AND METHODS FOR TREATING SMN-DEFICIENCY-RELATED-CONDITIONS NOVARTIS AG (CH) 2015-08-06 US disclosed
US-9040712-B2 Thiadiazole analogs thereof and methods for treating SMN-deficiency-related-conditions NOVARTIS AG (CH) 2015-05-26 US disclosed
US-20140206661-A1 THIADIAZOLE ANALOGS THEREOF AND METHODS FOR TREATING SMN-DEFICIENCY-RELATED-CONDITIONS NOVARTIS AG (CH) 2014-07-24 US disclosed
EP-1567493-B1 PHENYL SUBSTITUTED PIPERIDINE COMPOUNDS FOR USE AS PPAR ACTIVATORS PFIZER PROD INC (US) 2009-03-18 EP disclosed
US-20070191429-A1 PPAR ACTIVATORS PFIZER INC. (US) 2007-08-16 US disclosed
US-7199243-B2 Piperidine compounds useful as PPAR activators PFIZER INC. (US) 2007-04-03 US disclosed
EP-1567493-A1 PHENYL SUBSTITUTED PIPERIDINE COMPOUNDS FOR USE AS PPAR ACTIVATORS Pfizer Products Inc. (US) 2005-08-31 EP disclosed
US-20040157885-A1 PPAR activators PFIZER INC 2004-08-12 US disclosed
WO-2004048334-A1 PHENYL SUBSTITUTED PIPERIDINE COMPOUNDS FOR USE AS PPAR ACTIVATORS PFIZER PRODUCTS INC. (US) 2004-06-10 WO 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 (5 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-11642336-B2 5-HT2A agonists for use in treatment of depression HTR2A, HTR2C, HTR5A S1PR1 397/4885MKNK1 3633/4885MKNK2 2436/4885
US-20070191429-A1 PPAR ACTIVATORS PPARA, PPARG, PPARD S1PR1 723/4885MKNK1 1629/4885MKNK2 1818/4885
US-20040157885-A1 PPAR activators PPARA, PPARG, PPARD S1PR1 723/4885MKNK1 1629/4885MKNK2 1818/4885
US-20150218175-A1 THIADIAZOLE ANALOGS THEREOF AND METHODS FOR TREATING SMN-DEFICIENCY-RELATED-CONDITIONS SMN1; SMN2, SF3B5, SF3B1 S1PR1 2085/4885MKNK1 2126/4885MKNK2 1341/4885
US-20140206661-A1 THIADIAZOLE ANALOGS THEREOF AND METHODS FOR TREATING SMN-DEFICIENCY-RELATED-CONDITIONS SMN1; SMN2, SF3B5, SF3B1 S1PR1 2085/4885MKNK1 2126/4885MKNK2 1341/4885

“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.