SCHEMBL13380943

SCHEMBL13380943

N=C(N/N=C\c1cccnc1)N/N=C\c1cccnc1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.63
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
CTH P32929 1/20 0.61
RAB9A P51151 4/20 0.58
GAA P10253 2/20 0.58
ADORA2A P29274 1/20 0.57
ALDH1A1 P00352 2/20 0.56
NPSR1 Q6W5P4 1/20 0.56
MAPT P10636 1/20 0.56
POLB P06746 1/20 0.56
NPC1 O15118 1/20 0.53

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
SCHEMBL24211892 0.87 SMN1; SMN2 (0.60) SMN1; SMN2MEN1KMT2AL3MBTL1CTH
SCHEMBL8011653 0.83 SMN1; SMN2 (0.72) SMN1; SMN2MEN1KMT2AL3MBTL1CTH
SCHEMBL8011652 0.83 SMN1; SMN2 (0.72) SMN1; SMN2MEN1KMT2AL3MBTL1CTH
SCHEMBL9134788 0.81 KMT2A (0.73) SMN1; SMN2MEN1KMT2AL3MBTL1RAB9A
SCHEMBL9134794 0.81 KMT2A (0.73) SMN1; SMN2MEN1KMT2AL3MBTL1RAB9A
SCHEMBL21162646 0.80 SMN1; SMN2 (0.47) SMN1; SMN2MEN1KMT2AL3MBTL1CTH
Nicothiazone SCHEMBL27963917 0.80 CTH (0.67) SMN1; SMN2MEN1KMT2AL3MBTL1CTH
Nicothiazone SCHEMBL2110572 0.80 CTH (0.67) SMN1; SMN2MEN1KMT2AL3MBTL1CTH
SCHEMBL13380947 0.78 CTH (0.57) SMN1; SMN2MEN1KMT2AL3MBTL1CTH
SCHEMBL19449709 0.78 CTH (0.57) SMN1; SMN2MEN1KMT2AL3MBTL1CTH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 SMN1; SMN2 4680/4885MEN1 4396/4885KMT2A 3310/4885
US-20190201414-A1 INHIBITOR OF HEME DEGRADATION FOR USE TO IMPROVE ANTIBIOTIC TREATMENT OF MYCOBACTERIUM TUBERCULOSIS INFECTION HMOX1, HMOX2, PPOX SMN1; SMN2 4469/4885MEN1 2939/4885KMT2A 3355/4885

“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.