SCHEMBL3708441

SCHEMBL3708441

Cc1cc(-c2ccc(F)cc2)nc2cc(C(=O)O)nn12

nearest known ligand 0.79

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.79
ALDH1A1 P00352 8/20 0.79
HPGD P15428 6/20 0.79
HSD17B10 Q99714 4/20 0.63
MAPK1 P28482 2/20 0.63
MAPT P10636 4/20 0.55
NPSR1 Q6W5P4 2/20 0.55
LMNA P02545 2/20 0.55
POLB P06746 1/20 0.55
AHR P35869 1/20 0.55
GAA P10253 1/20 0.55
HTT P42858 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
TP53 P04637 2/20 0.52
TTR P02766 1/20 0.50
TSHR P16473 1/20 0.50
CASP1 P29466 1/20 0.50

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
SCHEMBL4731862 0.88 KDM4E (0.80) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL14014100 0.86 KDM4E (0.77) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL14014196 0.83 KDM4E (0.85) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL3284626 0.82 KDM4E (1.00) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL14014215 0.82 KDM4E (0.82) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL3291896 0.82 KDM4E (0.81) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL14014187 0.81 KDM4E (0.68) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL14014104 0.81 KDM4E (0.68) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL14014213 0.81 KDM4E (0.64) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL4197477 0.81 HPGD (0.74) KDM4EALDH1A1HPGDHSD17B10MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010086040-A1 PYRAZOLO-PYRIMIDINES FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-08-05 WO claimed
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
WO-2010086040-A1 PYRAZOLO-PYRIMIDINES FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-08-05 WO disclosed
WO-2010086040-A1 PYRAZOLO-PYRIMIDINES FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-08-05 WO 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

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-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 KDM4E 2274/4885ALDH1A1 802/4885HPGD 45/4885
US-20190201414-A1 INHIBITOR OF HEME DEGRADATION FOR USE TO IMPROVE ANTIBIOTIC TREATMENT OF MYCOBACTERIUM TUBERCULOSIS INFECTION HMOX1, HMOX2, PPOX KDM4E 2238/4885ALDH1A1 1493/4885HPGD 348/4885

“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.