SCHEMBL6079352

SCHEMBL6079352

NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCCCN1Cc1cc(Cl)ccc1-n1cnnn1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2 P00734 8/20 0.46
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
RECQL P46063 1/20 0.44
GPBAR1 Q8TDU6 6/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
F11 P03951 1/20 0.38

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
SCHEMBL6078656 0.91 F2 (0.47) F2TSHRMAPK1RECQLGPBAR1
Hydrochloric Acid SCHEMBL6079141 0.90 F2 (0.46) F2TSHRMAPK1RECQLGPBAR1
SCHEMBL6076574 0.80 F2 (0.50) F2GPBAR1ALDH1A1LMNAMEN1
SCHEMBL6077686 0.80 MAOA (0.45) LMNAMEN1KMT2ACYP3A4CYP2C9
SCHEMBL6079154 0.77 SCN9A (0.50) ALDH1A1LMNACYP3A4CYP2C9CYP2C19
SCHEMBL6079360 0.77 POLB (0.51) F2LMNAMEN1KMT2ACYP2C19
Hydrochloric Acid SCHEMBL6077990 0.76 SCN9A (0.49) ALDH1A1LMNACYP3A4CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL6078937 0.76 POLB (0.50) F2LMNAMEN1KMT2ACYP2C19
SCHEMBL6079284 0.76 ALDH1A1 (0.53) F2TSHRMAPK1RECQLALDH1A1
SCHEMBL6078379 0.76 F2 (0.47) F2TSHRMAPK1RECQLALDH1A1

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-7144899-B2 Thrombin inhibitors MERCK & CO., INC. (US) 2006-12-05 US disclosed
US-20040073025-A1 Thrombin inhibitors MERCK SHARP & DOHME CORP. 2004-04-15 US disclosed
WO-2002064559-A2 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2002-08-22 WO 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-20040073025-A1 Thrombin inhibitors F2, F11, F10 F2 1/4885TSHR 662/4885MAPK1 1399/4885

“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.