SCHEMBL6476554

SCHEMBL6476554

N=C(N)c1ccc(C(N)=O)cn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 4/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
PRMT1 Q99873 1/20 0.50
P4HA1 P13674 1/20 0.48
MIF P14174 1/20 0.48
P4HTM Q9NXG6 1/20 0.48
KDM4E B2RXH2 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
GRM5 P41594 1/20 0.44
MAPK1 P28482 2/20 0.43
F7 P08709 1/20 0.42
F3 P13726 1/20 0.42
SARM1 Q6SZW1 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
SIRT6 Q8N6T7 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
SIRT3 Q9NTG7 1/20 0.42
SIRT5 Q9NXA8 1/20 0.42
SIRT4 Q9Y6E7 1/20 0.42
MKNK1 Q9BUB5 1/20 0.42

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 SCHEMBL6475891 0.98 NNMT (0.55) NNMTSMN1; SMN2PRMT1P4HA1MIF
Acetic Acid SCHEMBL6476505 0.93 NNMT (0.50) NNMTSMN1; SMN2PRMT1P4HA1MIF
SCHEMBL22583444 0.86 P4HTM (0.68) PRMT1P4HA1MIFP4HTMKDM4E
SCHEMBL978974 0.85 NNMT (0.63) NNMTSMN1; SMN2P4HA1MIFP4HTM
Hydrochloric Acid SCHEMBL22583040 0.85 P4HTM (0.66) PRMT1P4HA1MIFP4HTMKDM4E
Hydrochloric Acid SCHEMBL6485765 0.83 NNMT (0.61) NNMTSMN1; SMN2P4HA1MIFP4HTM
Hydrochloric Acid SCHEMBL7702795 0.83 NNMT (0.61) NNMTSMN1; SMN2P4HA1MIFP4HTM
SCHEMBL1978610 0.82 P4HTM (0.73) NNMTSMN1; SMN2P4HA1MIFP4HTM
SCHEMBL13628287 0.80 MAPK1 (0.72) NNMTPRMT1P4HA1MIFP4HTM
SCHEMBL7081537 0.80 NNMT (0.57) NNMTSMN1; SMN2P4HA1MIFP4HTM

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-6900319-B2 Thrombin inhibitors ABBOTT GMBH & CO. KG (DE) 2005-05-31 US disclosed
US-20020169318-A1 Novel thrombin inhibitors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2002-11-14 US disclosed
US-6444817-B1 ANTICOAGULANTS ABBOTT LABORATORIES 2002-09-03 US disclosed
US-6030972-A 2- OR 5-AMINOMETHYL,2- OR 5-CYANOPYRIMIDINES AS INTERMEDIATES OF ANTICOAGULANTS IN EXTRACORPOREAL CIRCULATION (HEART-LUNG MACHINE, HEMODIALYSIS) BASF AKTIENGESELLSCHAFT (DE) 2000-02-29 US disclosed
US-5932567-A Thrombin inhibitors BASF AKTIENGESELLSCHAFT (DE) 1999-08-03 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-20020169318-A1 Novel thrombin inhibitors TFPI, SERPINC1, F11 NNMT 4542/4885SMN1; SMN2 3026/4885PRMT1 167/4885

“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.