SCHEMBL6843868

SCHEMBL6843868

Fc1cccc(C=Cc2nc3ccccc3n2-c2ccccn2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 4/20 0.43
ALDH1A1 P00352 4/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
KDM4E B2RXH2 3/20 0.42
MAPT P10636 2/20 0.42
PKM P14618 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
KMT2A Q03164 2/20 0.42
GRM4 Q14833 1/20 0.41
ALDH1A2 O94788 1/20 0.41
TUBB4A P04350 2/20 0.40
TUBB P07437 2/20 0.40
TUBA3C P0DPH7 2/20 0.40
TUBA1B P68363 2/20 0.40
TUBA4A P68366 2/20 0.40
TUBB4B P68371 2/20 0.40
TUBB3 Q13509 2/20 0.40
TUBB2A Q13885 2/20 0.40
TUBB8 Q3ZCM7 2/20 0.40

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
SCHEMBL6843867 1.00 NFE2L2 (0.43) NFE2L2ALDH1A1NPC1RAB9AKDM4E
SCHEMBL6835939 0.86 ALDH1A1 (0.56) ALDH1A1NPC1RAB9AKDM4EMAPT
SCHEMBL6835941 0.86 ALDH1A1 (0.56) ALDH1A1NPC1RAB9AKDM4EMAPT
Hydrochloric Acid SCHEMBL6837124 0.85 SMN1; SMN2 (0.52) NFE2L2ALDH1A1NPC1RAB9AKDM4E
Hydrochloric Acid SCHEMBL6837121 0.85 SMN1; SMN2 (0.52) NFE2L2ALDH1A1NPC1RAB9AKDM4E
Hydrochloric Acid SCHEMBL6836471 0.85 MAPT (0.47) ALDH1A1NPC1RAB9AKDM4EMAPT
Hydrochloric Acid SCHEMBL6838792 0.85 TUBB4A (0.49) ALDH1A1NPC1RAB9AKDM4EMAPT
Hydrochloric Acid SCHEMBL6836473 0.85 MAPT (0.47) ALDH1A1NPC1RAB9AKDM4EMAPT
Hydrochloric Acid SCHEMBL6838794 0.85 TUBB4A (0.49) ALDH1A1NPC1RAB9AKDM4EMAPT
SCHEMBL6836757 0.84 TUBB4A (0.43) NFE2L2ALDH1A1NPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040181062-A1 Benzimidazole cyclooxygenase-2 inhibitor PFIZER INC 2004-09-16 US disclosed
EP-0937722-B1 Benzimidazole derivatives as cyclooxygenase-2 inhibitors PFIZER (US) 2002-07-03 EP disclosed
US-6310079-B1 NON-STEROIDAL ANTIINFLAMMATORY AGENTS PFIZER INC. 2001-10-30 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 (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-20040181062-A1 Benzimidazole cyclooxygenase-2 inhibitor PTGS1, CBR1, CBR3 NFE2L2 725/4885ALDH1A1 203/4885NPC1 3021/4885

“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.