SCHEMBL601912

SCHEMBL601912

Nc1nnc(Cc2cc(F)cc(F)c2)s1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.58
POLB P06746 4/20 0.54
HTT P42858 1/20 0.54
HPGD P15428 3/20 0.50
LMNA P02545 2/20 0.50
MAPK1 P28482 1/20 0.48
GLS O94925 2/20 0.44
ATM Q13315 1/20 0.43
IDO1 P14902 1/20 0.39
F2 P00734 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL21384242 0.83 ALDH1A1 (0.65) ALDH1A1POLBHTTHPGDLMNA
SCHEMBL602492 0.81 ALDH1A1 (0.69) ALDH1A1POLBHTTHPGDLMNA
SCHEMBL11749002 0.77 ALDH1A1 (0.53) ALDH1A1POLBHTTHPGDLMNA
SCHEMBL15472914 0.75 ALDH1A1 (0.61) ALDH1A1POLBHTTHPGDLMNA
SCHEMBL2644442 0.73 ALDH1A1 (1.00) ALDH1A1POLBHTTHPGDLMNA
SCHEMBL11750879 0.73 ALDH1A1 (0.56) ALDH1A1POLBHTTHPGDLMNA
SCHEMBL15884611 0.72 ALDH1A1 (0.70) ALDH1A1POLBHTTHPGDLMNA
SCHEMBL4220065 0.70 ALDH1A1 (0.69) ALDH1A1POLBHTTHPGDLMNA
SCHEMBL3027076 0.70 ALDH1A1 (1.00) ALDH1A1POLBHTTHPGDLMNA
SCHEMBL3467136 0.70 ALDH1A1 (0.63) ALDH1A1POLBHTTHPGDLMNA

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
WO-2025066935-A1 COMPOUNDS, COMPOSITIONS AND METHODS THEREOF HEPAITECH (BEIJING) BIOPHARMA TECHNOLOGY CO., LTD. (CN) 2025-04-03 WO disclosed
WO-2025002360-A1 MRGPRX2 ANTAGONIST, PHARMACEUTICAL COMPOSITION AND USE THEREOF 北京普祺医药科技股份有限公司 2025-01-02 WO disclosed
EP-4055011-A1 MRGPRX2 ANTAGONISTS AND USES THEREOF Dermira, Inc (US) 2022-09-14 EP disclosed
CN-114728919-A MrgprX2 antagonists and uses thereof 德米拉公司 2022-07-08 CN disclosed
EP-2391611-B1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-04-30 EP disclosed
US-8546391-B2 Thiadiazole and oxadiazole derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-10-01 US disclosed
US-20120040984-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-16 US disclosed
EP-2391611-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-12-07 EP disclosed
WO-2010086551-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-08-05 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 (1 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-20120040984-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF OXA1L, CYP11B2, CYP11B1 ALDH1A1 126/4885POLB 1087/4885HTT 3855/4885

“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.