SCHEMBL14845689

SCHEMBL14845689

Cc1ccc2[nH]c(C(=O)Nc3ccccc3)cc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 1.00
POLB P06746 1/20 1.00
NPC1 O15118 5/20 0.76
RAB9A P51151 5/20 0.76
RXFP1 Q9HBX9 2/20 0.76
LMNA P02545 1/20 0.71
SMN1; SMN2 Q16637 1/20 0.71
PIN1 Q13526 1/20 0.63
PDGFRB P09619 1/20 0.61
PDGFRA P16234 1/20 0.61
KDM4E B2RXH2 1/20 0.59
NSD2 O96028 1/20 0.59
EGFR P00533 6/20 0.58
PIK3CA P42336 6/20 0.58
MAOA P21397 1/20 0.56
MAOB P27338 1/20 0.56

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
SCHEMBL19476163 0.84 NPC1 (0.78) TP53POLBNPC1RAB9ARXFP1
SCHEMBL2760086 0.84 NPC1 (0.73) TP53POLBNPC1RAB9ARXFP1
SCHEMBL13334417 0.83 TP53 (0.71) TP53POLBNPC1RAB9ARXFP1
SCHEMBL7208136 0.83 NPC1 (1.00) TP53POLBNPC1RAB9ALMNA
SCHEMBL29475123 0.83 NPC1 (1.00) TP53POLBNPC1RAB9ALMNA
SCHEMBL2735818 0.83 NPC1 (0.71) TP53POLBNPC1RAB9ARXFP1
SCHEMBL31058769 0.83 NHERF1 (0.78) TP53POLBNPC1RAB9ARXFP1
SCHEMBL27385788 0.83 NPC1 (0.71) TP53POLBNPC1RAB9ARXFP1
SCHEMBL20381090 0.82 TP53 (0.70) TP53POLBNPC1RAB9ARXFP1
SCHEMBL9410579 0.82 NPC1 (0.74) TP53POLBNPC1RAB9ARXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114605407-B Indoloquinolinone compound and synthetic method and application thereof 澳门科技大学 2024-06-04 CN disclosed
WO-2024050825-A1 COMPOUNDS AS MLKL INHIBITORS NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2024-03-14 WO disclosed
US-20230127655-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-04-27 US disclosed
CN-114605407-A Indoloquinolinone compound and synthesis method and application thereof 澳门科技大学 2022-06-10 CN disclosed
US-20170189389-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-07-06 US disclosed
US-20160271105-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2016-09-22 US disclosed
US-20150174098-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2015-06-25 US disclosed
US-20150094304-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMA (US) 2015-04-02 US disclosed
US-8952049-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-02-10 US disclosed
US-8952050-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-02-10 US disclosed
US-20140080826-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-03-20 US disclosed
US-8623905-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-07 US disclosed
US-8575209-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-05 US disclosed
US-20130178471-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vextex Pharmaceuticals Incorporated (US) 2013-07-11 US disclosed
US-8415387-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-09 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 (7 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-20150174098-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 TP53 3254/4885POLB 2183/4885NPC1 38/4885
US-20150094304-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 TP53 3254/4885POLB 2183/4885NPC1 38/4885
US-20140080826-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 TP53 3254/4885POLB 2183/4885NPC1 38/4885
US-20170189389-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 TP53 3254/4885POLB 2183/4885NPC1 38/4885
US-20130178471-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 TP53 3254/4885POLB 2183/4885NPC1 38/4885
US-20230127655-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 TP53 3254/4885POLB 2183/4885NPC1 38/4885
US-20160271105-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 TP53 3254/4885POLB 2183/4885NPC1 38/4885

“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.