SCHEMBL18939315

SCHEMBL18939315

CCC(C(=O)NCc1nccs1)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.61
▸ CYP1A2 P05177 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ CYP2D6 P10635 1/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ MEN1 O00255 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ FFAR2 O15552 1/20 0.53
▸ POLB P06746 3/20 0.51
▸ LMNA P02545 3/20 0.50
▸ HTT P42858 2/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ GPR88 Q9GZN0 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ THRB P10828 1/20 0.49
▸ KDM4A O75164 1/20 0.49
▸ MAPT P10636 1/20 0.48
▸ KCNK3 O14649 3/20 0.47

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
SCHEMBL18939423 0.90 CYP1A2 (0.70) GAACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL18939372 0.82 CYP1A2 (0.81) GAACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL17712437 0.77 GAA (0.61) GAAMEN1KMT2APOLBLMNA
SCHEMBL583003 0.76 KMT2A (0.83) GAAMEN1KMT2APOLBLMNA
SCHEMBL19736115 0.76 ADORA2A (0.46) LMNASMN1; SMN2GPR88ALDH1A1KDM4E
SCHEMBL16254379 0.75 PKM (0.50) CYP1A2CYP3A4CYP2D6HTTSMN1; SMN2
SCHEMBL27932526 0.74 POLB (0.69) GAAMEN1KMT2APOLBLMNA
SCHEMBL13118304 0.74 NPC1 (0.60) GAAKMT2APOLBLMNAKCNK3
SCHEMBL25382013 0.73 SMN1; SMN2 (0.49) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL23784199 0.73 GAA (0.70) GAAMEN1KMT2APOLBLMNA

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
US-RE49594-E1 Apelin receptor (APJ) agonists and uses thereof RESEARCH TRIANGLE INSTITUTE (US) 2023-08-01 — — US disclosed
US-11535630-B2 Apelin receptor (APJ) agonists and uses thereof RESEARCH TRIANGLE INSTITUTE (US) 2022-12-27 — — US disclosed
US-10954247-B2 Apelin receptor (APJ) agonists and uses thereof RESEARCH TRIANGLE INSTITUTE (NC) 2021-03-23 — — US disclosed
US-20210070767-A1 APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF RESEARCH TRIANGLE INSTITUTE 2021-03-11 — — US disclosed
EP-3386976-A1 IMPROVED APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF Research Triangle Institute, International (US) 2018-10-17 — — EP disclosed
US-10100059-B2 Apelin receptor (APJ) agonists and uses thereof RESEARCH TRIANGLE INSTITUTE (US) 2018-10-16 — — US disclosed
US-20180265518-A1 APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF RESEARCH TRIANGLE INSTITUTE 2018-09-20 — — US disclosed
WO-2017100558-A1 IMPROVED APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF RESEARCH TRIANGLE INSTITUTE (US) 2017-06-15 — — WO disclosed
US-20170166577-A1 APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF RESEARCH TRIANGLE INSTITUTE 2017-06-15 — — 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 (6 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-20170166577-A1 APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF APLNR, AP1G1, APMAP GAA 4490/4885CYP1A2 4586/4885CYP3A4 4807/4885
US-10100059-B2 Apelin receptor (APJ) agonists and uses thereof APLNR, AP1G1, APMAP GAA 4490/4885CYP1A2 4586/4885CYP3A4 4807/4885
US-11535630-B2 Apelin receptor (APJ) agonists and uses thereof APLNR, AP1G1, APMAP GAA 4490/4885CYP1A2 4586/4885CYP3A4 4807/4885
US-20210070767-A1 APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF APLNR, AP1G1, APMAP GAA 4490/4885CYP1A2 4586/4885CYP3A4 4807/4885
US-20180265518-A1 APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF APLNR, AP1G1, APMAP GAA 4490/4885CYP1A2 4586/4885CYP3A4 4807/4885
US-10954247-B2 Apelin receptor (APJ) agonists and uses thereof APLNR, AP1G1, APMAP GAA 4490/4885CYP1A2 4586/4885CYP3A4 4807/4885

“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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