SCHEMBL6444272

SCHEMBL6444272

O=C(Nc1ccc(-n2cncn2)cc1)c1ccc(C(=O)Nc2nnc(-c3cc(Cl)cc(Cl)c3O)s2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.48
RAB9A P51151 1/20 0.48
ROCK1 Q13464 1/20 0.44
MAPT P10636 1/20 0.44
S1PR1 P21453 5/20 0.43
S1PR3 Q99500 4/20 0.43
S1PR2 O95136 1/20 0.40
S1PR4 O95977 1/20 0.40
LMNA P02545 1/20 0.40
BLM P54132 2/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 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
SCHEMBL6326921 0.90 BLM (0.49) RXFP1RAB9ALMNABLMALDH1A1
SCHEMBL6445482 0.89 MAPT (0.47) RXFP1RAB9AMAPTLMNABLM
SCHEMBL6325733 0.89 BLM (0.46) RXFP1RAB9AMAPTS1PR1S1PR3
SCHEMBL6448516 0.87 MAPT (0.45) RXFP1RAB9AMAPTS1PR3BLM
SCHEMBL6447047 0.85 KDM4E (0.41) RAB9AMAPTLMNABLMALDH1A1
SCHEMBL6449271 0.84 LMNA (0.45) ROCK1MAPTLMNABLMALDH1A1
SCHEMBL6448563 0.84 F10 (0.42) RXFP1RAB9AMAPTLMNAALDH1A1
SCHEMBL6447202 0.84 KMT2A (0.46) RAB9AMAPTBLMKDM4EMAPK1
SCHEMBL6445978 0.83 SNCA (0.47) RXFP1RAB9ALMNAALDH1A1KDM4E
SCHEMBL6444592 0.83 RAB9A (0.46) RXFP1RAB9AMAPTLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050143384-A1 Amide thiadiazole inhibitors of plasminogen activator inhibitor-1 BRISTOL-MYERS SQUIBB COMPANY 2005-06-30 US claimed
US-20050143384-A1 Amide thiadiazole inhibitors of plasminogen activator inhibitor-1 BRISTOL-MYERS SQUIBB COMPANY 2005-06-30 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-20050143384-A1 Amide thiadiazole inhibitors of plasminogen activator inhibitor-1 SERPINE1, SERPINC1, SERPINB1 RXFP1 508/4885RAB9A 1792/4885ROCK1 885/4885

“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.