SCHEMBL2201995

SCHEMBL2201995

Cc1cccc2sc(C(=O)C3CCC(NCc4ccc5c(c4)NC(=O)CS5)CC3)nc12

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
ATM Q13315 1/20 0.39
KMT2A Q03164 4/20 0.39
ALDH1A1 P00352 2/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 2/20 0.36
LMNA P02545 1/20 0.36
GFER P55789 1/20 0.36
GRK2 P25098 1/20 0.35
UHRF1 Q96T88 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HPGD P15428 1/20 0.35
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34

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
SCHEMBL2201993 1.00 POLB (0.41) POLBATMKMT2AALDH1A1HTT
SCHEMBL2206548 0.91 KMT2A (0.42) POLBATMKMT2AALDH1A1HTT
SCHEMBL2206545 0.91 KMT2A (0.42) POLBATMKMT2AALDH1A1HTT
SCHEMBL2204406 0.89 MAPT (0.40) POLBATMKMT2AALDH1A1HTT
SCHEMBL2204404 0.89 MAPT (0.40) POLBATMKMT2AALDH1A1HTT
SCHEMBL2208968 0.87 POLB (0.39) POLBATMKMT2AGRK2UHRF1
SCHEMBL2207684 0.84 CHRM4 (0.48) POLBATMKMT2AALDH1A1MEN1
SCHEMBL2207686 0.84 CHRM4 (0.48) POLBATMKMT2AALDH1A1MEN1
SCHEMBL2208115 0.83 MAOB (0.44) POLBKMT2AALDH1A1MEN1LMNA
SCHEMBL2208112 0.83 MAOB (0.44) POLBKMT2AALDH1A1MEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7981886-B2 Antibiotics derivatives ACTELION PHARMACEUTICAL LTD. (CH) 2011-07-19 US claimed
EP-1888574-B1 NEW ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-09-02 EP claimed
US-20080280888-A1 Antibiotics Derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2008-11-13 US claimed
US-7981886-B2 Antibiotics derivatives ACTELION PHARMACEUTICAL LTD. (CH) 2011-07-19 US disclosed
EP-1888574-B1 NEW ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-09-02 EP disclosed
US-20080280888-A1 Antibiotics Derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2008-11-13 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-20080280888-A1 Antibiotics Derivatives NR4A1, NR2C2, NR4A3 POLB 2885/4885ATM 3748/4885KMT2A 1756/4885

“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.