Sugi Predict

Sugi Predict / Compounds / SCHEMBL309341

SCHEMBL309341

SCHEMBL309341

CC(C)(C#N)c1ccc(CN)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 4/20 0.48
▸ ESR1 P03372 2/20 0.42
▸ ESR2 Q92731 2/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.41
▸ RORC P51449 1/20 0.40
▸ ABAT P80404 1/20 0.38
▸ KIF11 P52732 1/20 0.37
▸ MAOB P27338 1/20 0.36
▸ TAAR1 Q96RJ0 1/20 0.35
▸ PSIP1 O75475 1/20 0.35
▸ NOS3 P29474 1/20 0.35
▸ NOS1 P29475 1/20 0.35
▸ NOS2 P35228 1/20 0.35
▸ MTOR P42345 1/20 0.35
▸ CYP19A1 P11511 1/20 0.35
▸ UGT1A4 P22310 1/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ PLG P00747 1/20 0.35
▸ KLKB1 P03952 1/20 0.35
▸ KLK1 P06870 1/20 0.35

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
Hydrochloric Acid SCHEMBL3125965 0.98 LOXL2 (0.47) LOXL2ESR1ESR2HRH3RORC
SCHEMBL3942362 0.84 TAAR1 (0.52) LOXL2ESR1ESR2RORCMAOB
SCHEMBL8763390 0.83 ESR1 (0.44) LOXL2ESR1ESR2RORCKIF11
Hydrochloric Acid SCHEMBL3943536 0.82 TAAR1 (0.50) LOXL2ESR1ESR2MAOBTAAR1
SCHEMBL27915261 0.82 LOXL2 (0.47) LOXL2ESR1ESR2HRH3ABAT
SCHEMBL6563317 0.82 KIF11 (0.41) ESR1ESR2RORCKIF11MTOR
SCHEMBL12044712 0.81 CYP2A6 (0.50) ESR1ESR2RORCKIF11TAAR1
Hydrochloric Acid SCHEMBL27897740 0.80 LOXL2 (0.45) LOXL2ESR1ESR2HRH3ABAT
SCHEMBL27708624 0.80 ESR1 (0.51) LOXL2ESR1ESR2HRH3ABAT
SCHEMBL1557927 0.79 ESR1 (0.42) ESR1ESR2RORCKIF11MTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2681215-B1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2015-04-22 — — EP claimed
US-20230219921-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. 2023-07-13 — — US disclosed
US-20230219921-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. 2023-07-13 — — US disclosed
CN-116075297-A KCNT1 inhibitors and methods of use 普拉西斯精密医药公司 2023-05-05 — — CN disclosed
WO-2022010880-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2022-01-13 — — WO disclosed
EP-2051967-B1 BENZIMIDAZOLE DERIVATIVES USEFUL IN TREATMENT OF VALLINOID RECEPTOR TRPV1 RELATED DISORDERS NEOMED INST (CA) 2014-12-31 — — EP disclosed
EP-2051967-B1 BENZIMIDAZOLE DERIVATIVES USEFUL IN TREATMENT OF VALLINOID RECEPTOR TRPV1 RELATED DISORDERS NEOMED INST (CA) 2014-12-31 — — EP disclosed
US-8093402-B2 Benzimidazole derivatives ASTRAZENECA AB (SE) 2012-01-10 — — US disclosed
US-8093402-B2 Benzimidazole derivatives ASTRAZENECA AB (SE) 2012-01-10 — — US disclosed
US-8093402-B2 Benzimidazole derivatives ASTRAZENECA AB (SE) 2012-01-10 — — US disclosed
CN-101792436-A Benzimidazole derivatives used in the treatment of diseases associated with vanilloid receptor 1 ASTRAZENECA R & D SODERTALJE 2010-08-04 — — CN disclosed
CN-101522637-A Benzimidazole derivatives useful for the treatment of vanilloid receptor 1-related disorders ASTRAZENECA AB (SE) 2009-09-02 — — CN disclosed
EP-2051967-A1 BENZIMIDAZOLE DERIVATIVES USEFUL IN TREATMENT OF VALLINOID RECEPTOR TRPV1 RELATED DISORDERS AstraZeneca AB (SE) 2009-04-29 — — EP disclosed
US-20080221188-A1 New Benzimidazole Derivatives ASTRAZENECA R&D SODERTALJE (SE) 2008-09-11 — — US disclosed
US-20080221188-A1 New Benzimidazole Derivatives ASTRAZENECA R&D SODERTALJE (SE) 2008-09-11 — — US disclosed
US-20080221188-A1 New Benzimidazole Derivatives ASTRAZENECA R&D SODERTALJE (SE) 2008-09-11 — — US disclosed
WO-2008018827-A1 BENZIMIDAZOLE DERIVATIVES USEFUL IN TREATMENT OF VALLINOID RECEPTOR TRPV1 RELATED DISORDERS ASTRAZENECA AB (SE) 2008-02-14 — — WO disclosed
WO-2008018827-A1 BENZIMIDAZOLE DERIVATIVES USEFUL IN TREATMENT OF VALLINOID RECEPTOR TRPV1 RELATED DISORDERS ASTRAZENECA AB (SE) 2008-02-14 — — WO disclosed
CN-1145609-C Piperazine compounds and medical use thereof ������ҩ��ʽ���� 2004-04-14 — — CN disclosed
CN-1281438-A Piperazine compounds and their use as pharmaceuticals EFUKU CO LTD (JP) 2001-01-24 — — CN 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 (2 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-20080221188-A1 New Benzimidazole Derivatives OPRD1, OPRK1, SDHA LOXL2 3936/4885ESR1 3714/4885ESR2 1193/4885
US-20230219921-A1 KCNT1 INHIBITORS AND METHODS OF USE KCNT1, KCNT2, KCNQ2 LOXL2 3485/4885ESR1 4498/4885ESR2 3898/4885

“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.