SCHEMBL2992964

SCHEMBL2992964

O=C(NNC(=O)c1ccncc1)c1ccncc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 1.00
TP53 P04637 1/20 0.79
CA1 P00915 3/20 0.73
CA9 Q16790 3/20 0.73
MAOA P21397 1/20 0.67
MAOB P27338 1/20 0.67
PTGS2 P35354 1/20 0.67
KDM4E B2RXH2 1/20 0.67
MPO P05164 1/20 0.67
CYP1A2 P05177 1/20 0.67
CYP3A4 P08684 1/20 0.67
ADORA3 P0DMS8 1/20 0.67
CYP2D6 P10635 1/20 0.67
CYP2A6 P11509 1/20 0.67
CYP2C19 P33261 1/20 0.67
GAA P10253 3/20 0.64
L3MBTL1 Q9Y468 1/20 0.63
HPGD P15428 3/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
POLB P06746 1/20 0.61

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
SCHEMBL2988323 0.93 ALDH1A1 (0.86) ALDH1A1TP53CA1CA9MAOA
SCHEMBL2986200 0.91 ALDH1A1 (0.83) ALDH1A1TP53CA1CA9MAOA
SCHEMBL3000231 0.91 ALDH1A1 (0.83) ALDH1A1TP53CA1CA9MAOA
SCHEMBL3935111 0.89 ALDH1A1 (0.79) ALDH1A1TP53CA1CA9MAOA
SCHEMBL1415953 0.89 TP53 (1.00) ALDH1A1TP53CA1CA9MAOA
SCHEMBL3001579 0.87 ALDH1A1 (0.76) ALDH1A1TP53CA1CA9MAOA
SCHEMBL13492090 0.87 ALDH1A1 (0.76) ALDH1A1TP53CA1CA9MAOA
SCHEMBL13381492 0.87 ALDH1A1 (0.76) ALDH1A1TP53CA1CA9MAOA
SCHEMBL16785428 0.87 ALDH1A1 (0.76) ALDH1A1TP53CA1CA9MAOA
SCHEMBL2995413 0.86 ALDH1A1 (0.75) ALDH1A1TP53CA1CA9MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119322121-A High-precision detection method for content of related substances of isoniazid injection 河北龙海药业有限公司 2025-01-17 CN claimed
US-4758312-A Adding colorless electrochemically active compound having positive reduction potential NALCO CHEMICAL COMPANY (US) 1988-07-19 US claimed
CN-119322121-A High-precision detection method for content of related substances of isoniazid injection 河北龙海药业有限公司 2025-01-17 CN disclosed
CN-119322121-A High-precision detection method for content of related substances of isoniazid injection 河北龙海药业有限公司 2025-01-17 CN disclosed
US-20230159471-A1 PYRAZINOIC ACID CONJUGATES AND HYBRID CONJUGATES AUGUSTA UNIVERSITY RESEARCH INSTITUTE, INC. (US) 2023-05-25 US disclosed
US-11584725-B2 Pyrazinoic acid conjugates and hybrid conjugates AUGUSTA UNIVERSITY RESEARCH INSTITUTE, INC. (US) 2023-02-21 US disclosed
US-20200140397-A1 PYRAZINOIC ACID CONJUGATES AND HYBRID CONJUGATES AUGUSTA UNIVERSITY RESEARCH INSTITUTE, INC. 2020-05-07 US disclosed
US-20190201414-A1 INHIBITOR OF HEME DEGRADATION FOR USE TO IMPROVE ANTIBIOTIC TREATMENT OF MYCOBACTERIUM TUBERCULOSIS INFECTION THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERV (US) 2019-07-04 US disclosed
US-8450368-B2 Heme oxygenase inhibitors, screening methods for heme oxygenase inhibitors and methods of use of heme oxygenase inhibitors for antimicrobial therapy UNIVERSITY OF MARYLAND, BALTIMORE (US) 2013-05-28 US disclosed
US-8450368-B2 Heme oxygenase inhibitors, screening methods for heme oxygenase inhibitors and methods of use of heme oxygenase inhibitors for antimicrobial therapy UNIVERSITY OF MARYLAND, BALTIMORE (US) 2013-05-28 US disclosed
US-20100184811-A1 ISONIAZID MEDIATED HEALING OF WOUNDS AND ULCERS BRIDGE BIORESEARCH RIGHTS (JERSEY) LIMITED (GB) 2010-07-22 US disclosed
US-20100081661-A1 HEME OXYGENASE INHIBITORS, SCREENING METHODS FOR HEME OXYGENASE INHIBITORS AND METHODS OF USE OF HEME OXYGENASE INHIBITORS FOR ANTIMICROBIAL THERAPY UNIVERSITY OF MARYLAND, BALTIMORE (US) 2010-04-01 US disclosed
US-20100081661-A1 HEME OXYGENASE INHIBITORS, SCREENING METHODS FOR HEME OXYGENASE INHIBITORS AND METHODS OF USE OF HEME OXYGENASE INHIBITORS FOR ANTIMICROBIAL THERAPY UNIVERSITY OF MARYLAND, BALTIMORE (US) 2010-04-01 US disclosed
EP-2068873-A2 ISONIAZID MEDIATED HEALING OF WOUNDS AND ULCERS Pharma 2100 (DK) 2009-06-17 EP disclosed
WO-2008031440-A2 ISONIAZID MEDIATED HEALING OF WOUNDS AND ULCERS PHARMA 2100 (DK) 2008-03-20 WO disclosed
US-4758312-A Adding colorless electrochemically active compound having positive reduction potential NALCO CHEMICAL COMPANY (US) 1988-07-19 US disclosed
EP-0237738-A2 Method for in situ corrosion detection using electrochemically active compounds NALCO CHEMICAL COMPANY (US) 1987-09-23 EP disclosed
US-4683035-A Method for in situ corrosion detection using electrochemically active compounds NALCO CHEMICAL COMPANY (US) 1987-07-28 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 (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-20100184811-A1 ISONIAZID MEDIATED HEALING OF WOUNDS AND ULCERS ODC1, OTC, ACACB ALDH1A1 302/4885TP53 2283/4885CA1 2581/4885
US-20100081661-A1 HEME OXYGENASE INHIBITORS, SCREENING METHODS FOR HEME OXYGENASE INHIBITORS AND METHODS OF USE OF HEME OXYGENASE INHIBITORS FOR ANTIMICROBIAL THERAPY HMOX1, HMOX2, PPOX ALDH1A1 802/4885TP53 3846/4885CA1 4055/4885
US-11584725-B2 Pyrazinoic acid conjugates and hybrid conjugates QPCT, RARA, PNKP ALDH1A1 240/4885TP53 494/4885CA1 2729/4885
US-20200140397-A1 PYRAZINOIC ACID CONJUGATES AND HYBRID CONJUGATES QPCT, RARA, PNKP ALDH1A1 240/4885TP53 494/4885CA1 2729/4885
US-20190201414-A1 INHIBITOR OF HEME DEGRADATION FOR USE TO IMPROVE ANTIBIOTIC TREATMENT OF MYCOBACTERIUM TUBERCULOSIS INFECTION HMOX1, HMOX2, PPOX ALDH1A1 1493/4885TP53 3509/4885CA1 4579/4885
US-20230159471-A1 PYRAZINOIC ACID CONJUGATES AND HYBRID CONJUGATES QPCT, RARA, PNKP ALDH1A1 240/4885TP53 494/4885CA1 2729/4885

“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.