SCHEMBL2850180

SCHEMBL2850180

Clc1cccc(Br)c1-c1ccc2ccccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 1/20 0.49
FABP4 P15090 1/20 0.49
FABP5 Q01469 1/20 0.49
HSD17B1 P14061 1/20 0.42
HSD17B2 P37059 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.41
CYP2A6 P11509 3/20 0.41
GSTP1 P09211 1/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
ALOX5 P09917 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
FASN P49327 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
IKBKB O14920 1/20 0.37
CYP1A2 P05177 2/20 0.37

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
SCHEMBL13319471 0.81 CYP2A6 (0.50) HSD17B1HSD17B2SIRT2CYP2A6GSTP1
SCHEMBL26191583 0.78 ESR2 (0.41) FABP3FABP4FABP5CYP2A6ESR1
SCHEMBL26191585 0.77 ALDH1A1 (0.44) FABP3FABP4FABP5CYP2A6ESR2
SCHEMBL11454164 0.77 MAPK1 (0.44) FABP3FABP4FABP5CYP2A6CYP1A2
SCHEMBL2846087 0.76 BIRC5 (0.55) CYP2A6CA1CA2CA9CYP1A2
SCHEMBL31603808 0.76 ESR1 (0.48) HSD17B1HSD17B2SIRT2CYP2A6GSTP1
SCHEMBL3569291 0.76 ALOX5 (0.41) ESR2ALOX5GRIA1CACNG8TP53
SCHEMBL12628409 0.75 CYP2A6 (0.50) FABP3FABP4FABP5HSD17B1HSD17B2
SCHEMBL3570866 0.75 GRIA1 (0.42) FABP4ESR2GRIA1CACNG8ALDH1A1
SCHEMBL25501416 0.75 CYP1A2 (0.41) FABP3FABP4CYP2A6CYP1A2GRIA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007117482-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 WO claimed
US-20240023428-A1 ORGANIC ELECTROLUMINESCENT MATERIAL, ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2024-01-18 US disclosed
US-20240023428-A1 ORGANIC ELECTROLUMINESCENT MATERIAL, ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2024-01-18 US disclosed
US-20230242484-A1 NITROGEN-CONTAINING COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC APPARATUS USING SAME SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-08-03 US disclosed
US-20230242484-A1 NITROGEN-CONTAINING COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC APPARATUS USING SAME SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-08-03 US disclosed
US-20100179109-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2010-07-15 US disclosed
US-20100130471-A1 Renin Inhibitors SMITHKLINE BEECHAM CORPORATION 2010-05-27 US disclosed
US-20090275581-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2009-11-05 US disclosed
US-20090264428-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2009-10-22 US disclosed
EP-2010488-A2 RENIN INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2009-01-07 EP disclosed
WO-2008124575-A1 RENIN INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-10-16 WO disclosed
WO-2008124582-A1 RENIN INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-10-16 WO disclosed
WO-2007117482-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 WO disclosed
WO-2007117559-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 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 (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-20100179109-A1 RENIN INHIBITORS REN, ACE, AGTR1 FABP3 574/4885FABP4 1708/4885FABP5 2059/4885
US-20230242484-A1 NITROGEN-CONTAINING COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC APPARATUS USING SAME MNS1, NSFL1C, NCF1 FABP3 4393/4885FABP4 3461/4885FABP5 3095/4885
US-20090275581-A1 RENIN INHIBITORS REN, ACE, SERPINB1 FABP3 202/4885FABP4 568/4885FABP5 453/4885
US-20240023428-A1 ORGANIC ELECTROLUMINESCENT MATERIAL, ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE L1CAM, EPCAM, SELE FABP3 2615/4885FABP4 2141/4885FABP5 1941/4885
US-20090264428-A1 Renin Inhibitors REN, ACE, SERPINB1 FABP3 166/4885FABP4 528/4885FABP5 614/4885
US-20100130471-A1 Renin Inhibitors ACE, REN, DNPEP FABP3 172/4885FABP4 717/4885FABP5 557/4885

“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.