SCHEMBL4758241

SCHEMBL4758241

NCC(=O)c1ccncc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.57
CYP3A4 P08684 2/20 0.57
CYP2D6 P10635 2/20 0.57
CYP2C19 P33261 2/20 0.57
PLOD2 O00469 2/20 0.57
PLOD3 O60568 2/20 0.57
PLOD1 Q02809 2/20 0.57
ALDH1A1 P00352 2/20 0.57
CYP2C9 P11712 1/20 0.57
HPGD P15428 1/20 0.57
HIF1A Q16665 1/20 0.57
KDM4E B2RXH2 2/20 0.56
MPO P05164 1/20 0.56
ADORA3 P0DMS8 1/20 0.56
CYP2A6 P11509 1/20 0.56
NAPRT Q6XQN6 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 2/20 0.44

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 SCHEMBL2334192 0.98 CYP1A2 (0.55) CYP1A2CYP3A4CYP2D6CYP2C19PLOD2
Hydrochloric Acid SCHEMBL4872565 0.98 CYP1A2 (0.55) CYP1A2CYP3A4CYP2D6CYP2C19PLOD2
Trifluoroacetic Acid SCHEMBL30436984 0.87 PLOD2 (0.59) CYP1A2CYP3A4CYP2D6CYP2C19PLOD2
SCHEMBL16404441 0.82 CYP1A2 (0.59) CYP1A2CYP3A4CYP2D6CYP2C19PLOD2
SCHEMBL15988710 0.80 CYP2C19 (0.61) CYP1A2CYP3A4CYP2D6CYP2C19PLOD2
SCHEMBL10948430 0.80 PLOD2 (0.83) CYP1A2CYP3A4CYP2D6CYP2C19PLOD2
Hydrochloric Acid SCHEMBL13738814 0.79 GSK3B (0.42) CYP3A4ALDH1A1HPGDHIF1AKDM4E
SCHEMBL6461274 0.78 PLOD2 (0.59) CYP1A2CYP3A4CYP2D6CYP2C19PLOD2
SCHEMBL5163555 0.77 CYP3A4 (0.64) CYP1A2CYP3A4CYP2D6CYP2C19PLOD2
SCHEMBL3108729 0.77 PLOD2 (0.64) CYP1A2CYP3A4CYP2D6CYP2C19PLOD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312580-A1 1-(5-(2-CYANOPYRIDIN-4-YL)OXAZOLE-2-CARBONYL)-4-METHYLHEXAHYDROPYRROLO[3,4-B]PYR ROLE-5(1H)-CARBONITRILE AS USP30 INHIBITOR FOR USE IN THE TREATMENT OF MITOCHONDRIAL DYSFUNCTION, CANCER AND FIBROSIS MISSION THERAPEUTICS LIMITED (GB) 2023-10-05 US disclosed
US-20230312580-A1 1-(5-(2-CYANOPYRIDIN-4-YL)OXAZOLE-2-CARBONYL)-4-METHYLHEXAHYDROPYRROLO[3,4-B]PYR ROLE-5(1H)-CARBONITRILE AS USP30 INHIBITOR FOR USE IN THE TREATMENT OF MITOCHONDRIAL DYSFUNCTION, CANCER AND FIBROSIS MISSION THERAPEUTICS LIMITED (GB) 2023-10-05 US disclosed
US-11773109-B2 Composition for hardening soft tissue THE CATHOLIC UNIVERSITY OF KOREA INDUSTRY-ACADEMIC COOPERATION FOUNDATION 2023-10-03 US disclosed
US-20230159455-A1 DELIVERY OF THERAPEUTIC ALKALOID COMPOUNDS SENSORIUM THERAPEUTICS, INC. 2023-05-25 US disclosed
US-20230151396-A1 METHOD FOR SYNTHESIZING A CHIRAL DIAMINE COMPOUND ASYMCHEM LABORATORIES (TIANJIN) CO., LTD. (CN) 2023-05-18 US disclosed
US-20230151396-A1 METHOD FOR SYNTHESIZING A CHIRAL DIAMINE COMPOUND ASYMCHEM LABORATORIES (TIANJIN) CO., LTD. (CN) 2023-05-18 US disclosed
US-20230142405-A1 A CONTINUOUS FLOW SYNTHESIS METHOD FOR THE MANUFACTURE OF ISONIAZID Nelson Mandela University (ZA) 2023-05-11 US disclosed
US-20230134587-A1 BIOMARKER TESTING AND DIAGNOSTICS UNIVERSITY OF WASHINGTON 2023-05-04 US disclosed
EP-4161929-A1 1-(5-(2-CYANOPYRIDIN-4-YL)OXAZOLE-2-CARBONYL)-4-METHYLHEXAHYDROPYRROLO[3,4-B]PYR ROLE-5(1H)-CARBONITRILE AS USP30 INHIBITOR FOR USE IN THE TREATMENT OF MITOCHONDRIAL DYSFUNCTION, CANCER AND FIBROSIS Mission Therapeutics Limited (GB) 2023-04-12 EP disclosed
CN-115836073-A 1- (5- (2-cyanopyridin-4-yl) oxazole-2-carbonyl) -4-methylhexahydropyrrolo [3,4-B ] pyrrole-5 (1H) -carbonitrile as a USP30 inhibitor for the treatment of mitochondrial dysfunction, cancer and fibrosis 特殊治疗有限公司 2023-03-21 CN disclosed
EP-0653421-B1 Process for preparing 2-cyanoimidazole compounds ISHIHARA SANGYO KAISHA (JP) 1997-01-15 EP disclosed
US-5552557-A Process for preparing 2-cyanoimidazole compounds by reaction of an amino ketone compound ISHIHARA SANGYO KAISHA, LTD. (JP) 1996-09-03 US disclosed
EP-0507650-B1 Piperidine derivatives, their preparation and their therapeutic application SYNTHELABO (FR) 1996-05-22 EP disclosed
EP-0653421-A1 Process for preparing 2-cyanoimidazole compounds ISHIHARA SANGYO KAISHA LTD. (JP) 1995-05-17 EP disclosed
EP-0507650-A1 Piperidine derivatives, their preparation and their therapeutic application SYNTHELABO (FR) 1992-10-07 EP disclosed
US-5106986-A PREPARATION OF AMINOETHANOL DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1992-04-21 US disclosed
EP-0450180-A2 Process for the preparation of aminoethanol derivatives BAYER AG (DE) 1991-10-09 EP disclosed
EP-0051371-B1 IMIDAZOLYLPYRIDINE THERAPEUTIC AGENTS PFIZER INC. (US) 1984-08-29 EP disclosed
EP-0051371-A2 Imidazolylpyridine therapeutic agents PFIZER INC. (US) 1982-05-12 EP disclosed
US-4302464-A ANTIULCER AGENTS, ANTI-H2-HISTAMINES PFIZER INC. (US) 1981-11-24 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 (4 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-11773109-B2 Composition for hardening soft tissue PNLIP, AMY2A, RNASE1 CYP1A2 4782/4885CYP3A4 4739/4885CYP2D6 4796/4885
US-20230312580-A1 1-(5-(2-CYANOPYRIDIN-4-YL)OXAZOLE-2-CARBONYL)-4-METHYLHEXAHYDROPYRROLO[3,4-B]PYR ROLE-5(1H)-CARBONITRILE AS USP30 INHIBITOR FOR USE IN THE TREATMENT OF MITOCHONDRIAL DYSFUNCTION, CANCER AND FIBROSIS USP30, USP1, USP28 CYP1A2 2077/4885CYP3A4 2071/4885CYP2D6 3744/4885
US-20230159455-A1 DELIVERY OF THERAPEUTIC ALKALOID COMPOUNDS PNMT, HNMT, NNMT CYP1A2 313/4885CYP3A4 347/4885CYP2D6 316/4885
US-20230142405-A1 A CONTINUOUS FLOW SYNTHESIS METHOD FOR THE MANUFACTURE OF ISONIAZID IDH1, IDH2, IMPDH2 CYP1A2 176/4885CYP3A4 69/4885CYP2D6 194/4885

“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.