SCHEMBL958778

SCHEMBL958778

CC(NC(=O)C(F)(F)F)c1ccc(Br)cc1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.55
POLB P06746 1/20 0.53
ALDH1A1 P00352 2/20 0.51
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.49
CNR1 P21554 1/20 0.48

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
SCHEMBL958776 1.00 SMN1; SMN2 (0.55) SMN1; SMN2POLBALDH1A1LMNACYP1A2
SCHEMBL3792050 1.00 SMN1; SMN2 (0.55) SMN1; SMN2POLBALDH1A1LMNACYP1A2
SCHEMBL2897289 0.84 SMN1; SMN2 (0.57) SMN1; SMN2POLBALDH1A1LMNACYP1A2
SCHEMBL17509879 0.84 SMN1; SMN2 (0.57) SMN1; SMN2POLBALDH1A1LMNACYP1A2
SCHEMBL21399858 0.84 CNR1 (0.49) ALDH1A1CNR1
SCHEMBL12283613 0.83 CYP1A2 (0.46) SMN1; SMN2POLBALDH1A1LMNACYP1A2
SCHEMBL1312687 0.83 ACACB (0.55) ALDH1A1CNR1
SCHEMBL21399933 0.83 CNR1 (0.48) SMN1; SMN2ALDH1A1CNR1
SCHEMBL1312484 0.83 ACACB (0.55) ALDH1A1CNR1
SCHEMBL1312488 0.83 ACACB (0.55) ALDH1A1CNR1

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 59 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12559505-B2 IDH mutant inhibitor and use thereof Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2026-02-24 US disclosed
US-20250049809-A1 INHIBITORS OF MUTANT IDH1 AND IDH2 BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2025-02-13 US disclosed
US-20240208978-A1 IDH MUTANT INHIBITOR AND USE THEREOF Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2024-06-27 US disclosed
EP-4356914-A1 IDH MUTANT INHIBITOR AND USE THEREOF Wigen Biomedicine Technology (Shanghai) Co., Ltd. (CN) 2024-04-24 EP disclosed
CN-117460512-A IDH mutant inhibitors and uses thereof 微境生物医药科技(上海)有限公司 2024-01-26 CN disclosed
US-20230174550-A1 IDH MUTANT INHIBITOR AND USE THEREOF Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2023-06-08 US disclosed
US-11649247-B2 7-phenylethylamino-4H-pyrimido[4,5-d][1,3]oxazin-2-one compounds as mutant IDH1 and IDH2 inhibitors ELI LILLY AND COMPANY (US) 2023-05-16 US disclosed
US-11629156-B2 7-phenylethylamino-4H-pyrimido[4,5-d][1,3]oxazin-2-one compounds as mutant IDH1 and IDH2 inhibitors ELI LILLY AND COMPANY (US) 2023-04-18 US disclosed
EP-3763717-B1 PYRIDO[4,3-D][1,3]OXAZIN-2-ONE COMPOUNDS AS MUTANT IDH1 AND IDH2 INHIBITORS LILLY CO ELI (US) 2023-03-08 EP disclosed
CN-115768775-A IDH mutant inhibitor and application thereof 微境生物医药科技(上海)有限公司 2023-03-07 CN disclosed
EP-2183228-B1 CYCLIC INHIBITORS OF 11ß -HYDROXYSTERIOD DEHYDROGENASE 1 VITAE PHARMACEUTICALS INC (US) 2014-08-20 EP disclosed
US-8575156-B2 Cyclic inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2013-11-05 US disclosed
US-8487094-B2 Synthesis of inhibitors of 11β-hydroxysteroid dehydrogenase type 1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-16 US disclosed
US-8329897-B2 Synthesis of inhibitors of 11β-hydroxysteroid dehydrogenase type 1 VITAE PHARMACEUTICALS, INC. (US) 2012-12-11 US disclosed
US-20120157425-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-21 US disclosed
EP-2183229-B1 SYNTHESIS OF INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 VITAE PHARMACEUTICALS INC (US) 2012-04-18 EP disclosed
US-20110269957-A1 SYNTHESIS OF INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-03 US disclosed
CN-102105454-A Synthesis of inhibitors of 11beta-hydroxysteroid dehydrogenase type 1 BOEHRINGER INGELHEIM INT 2011-06-22 CN disclosed
US-20110015157-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 Vitae Pharmaceuticals ,Inc. 2011-01-20 US disclosed
US-20100256363-A1 SYNTHESIS OF INHIBITORS OF 11ß-HYDROXYSTEROID DEHYDROGENASE TYPE 1 VITAE PHARMACEUTICALS, INC. 2010-10-07 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 (10 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-11649247-B2 7-phenylethylamino-4H-pyrimido[4,5-d][1,3]oxazin-2-one compounds as mutant IDH1 and IDH2 inhibitors IDH2, IDH1, IDH3B SMN1; SMN2 1581/4885POLB 616/4885ALDH1A1 66/4885
US-12559505-B2 IDH mutant inhibitor and use thereof IDH3A, IDH1, IDH3B SMN1; SMN2 2259/4885POLB 2987/4885ALDH1A1 291/4885
US-20110269957-A1 SYNTHESIS OF INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 SMN1; SMN2 2728/4885POLB 678/4885ALDH1A1 345/4885
US-11629156-B2 7-phenylethylamino-4H-pyrimido[4,5-d][1,3]oxazin-2-one compounds as mutant IDH1 and IDH2 inhibitors IDH2, IDH1, IDH3B SMN1; SMN2 1581/4885POLB 616/4885ALDH1A1 66/4885
US-20120157425-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF P2RX5, P2RX3, ABCG2 SMN1; SMN2 4388/4885POLB 2247/4885ALDH1A1 388/4885
US-20100256363-A1 SYNTHESIS OF INHIBITORS OF 11ß-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD11B2, HSD17B1 SMN1; SMN2 2752/4885POLB 807/4885ALDH1A1 399/4885
US-20230174550-A1 IDH MUTANT INHIBITOR AND USE THEREOF IDH1, IDH3A, IDH3B SMN1; SMN2 3476/4885POLB 2532/4885ALDH1A1 123/4885
US-20250049809-A1 INHIBITORS OF MUTANT IDH1 AND IDH2 IDH1, IDH2, IDH3A SMN1; SMN2 753/4885POLB 2177/4885ALDH1A1 709/4885
US-20110015157-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD11B2, HSD3B1 SMN1; SMN2 3642/4885POLB 1461/4885ALDH1A1 98/4885
US-20240208978-A1 IDH MUTANT INHIBITOR AND USE THEREOF IDH1, IDH3A, IDH3B SMN1; SMN2 3451/4885POLB 2277/4885ALDH1A1 99/4885

“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.