SCHEMBL2409650

SCHEMBL2409650

C[C@H]1C[C@@H](C(=O)Nc2cc(Br)cnc2N)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.49
POLB P06746 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
ABL1 P00519 7/20 0.42
BCR P11274 7/20 0.42
HDAC1 Q13547 3/20 0.40
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
USP30 Q70CQ3 1/20 0.38
HDAC8 Q9BY41 4/20 0.38
CFD P00746 1/20 0.37
HTRA1 Q92743 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL2416428 0.86 CFD (0.40) CYP1A2POLBCYP3A4CYP2C19HDAC1
SCHEMBL16511611 0.83 LMNA (0.58) POLBLMNANPSR1USP30HDAC8
SCHEMBL28869484 0.83 LMNA (0.58) POLBLMNANPSR1USP30HDAC8
SCHEMBL2373909 0.82 CYP1A2 (0.55) CYP1A2POLBCYP3A4CYP2C19ABL1
SCHEMBL2373906 0.82 CYP1A2 (0.55) CYP1A2POLBCYP3A4CYP2C19ABL1
SCHEMBL2373009 0.80 CYP1A2 (0.55) CYP1A2POLBCYP3A4CYP2C19ABL1
SCHEMBL2373004 0.80 CYP1A2 (0.55) CYP1A2POLBCYP3A4CYP2C19ABL1
SCHEMBL16765964 0.77 CYP1A2 (0.49) CYP1A2POLBCYP3A4CYP2C19ABL1
SCHEMBL15346388 0.74 CYP1A2 (0.44) CYP1A2POLBCYP3A4CYP2C19ABL1
SCHEMBL23885134 0.73 CYP1A2 (0.48) CYP1A2POLBCYP3A4CYP2C19ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130102629-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-25 US disclosed
US-20130102629-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-25 US disclosed
WO-2011119860-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-29 WO disclosed
WO-2011119860-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-29 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-20130102629-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS C1QBP, BLVRB, RRP1B CYP1A2 1303/4885POLB 1258/4885CYP3A4 1436/4885

“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.