SCHEMBL3582860

SCHEMBL3582860

C#Cc1ccc2cccc(CNC(=O)N3C[C@@H]4C[C@@H]4[C@H]3C(=O)NCc3cccnc3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CFD P00746 7/20 0.41
TSHR P16473 3/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL3570922 1.00 CFD (0.41) CFDTSHRALDH1A1CYP2C9CYP2C19
SCHEMBL3577280 0.88 CFD (0.48) CFDTSHRALDH1A1CYP2C9CYP2C19
SCHEMBL3579963 0.83 POLB (0.52) TSHRALDH1A1CYP2C9CYP2C19KMT2A
SCHEMBL3579831 0.83 CFD (0.42) CFDTSHRALDH1A1CYP2C9CYP2C19
SCHEMBL3575319 0.82 POLB (0.49) TSHRALDH1A1CYP2C9CYP2C19KMT2A
SCHEMBL3580290 0.81 SMN1; SMN2 (0.42) CFDTSHRALDH1A1CYP2C9CYP2C19
SCHEMBL3579267 0.78 CFD (0.41) CFDTSHRALDH1A1CYP2C9CYP2C19
SCHEMBL3574125 0.76 POLB (0.47) ALDH1A1CYP2C9CYP2C19KMT2A
SCHEMBL8096462 0.74 CYP2C19 (0.52) TSHRALDH1A1CYP2C9CYP2C19KMT2A
SCHEMBL13119596 0.74 CYP2C19 (0.52) TSHRALDH1A1CYP2C9CYP2C19KMT2A

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-20130028843-A1 KALLIKREIN 7 MODULATORS NOVARTIS AG (CH) 2013-01-31 US disclosed
US-8309596-B2 Kallikrein 7 modulators NOVARTIS AG (CH) 2012-11-13 US disclosed
US-20100256144-A1 Kallikrein 7 modulators NOVARTIS AG (CH) 2010-10-07 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 (2 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-20130028843-A1 KALLIKREIN 7 MODULATORS KLK7, KLK5, KLKB1 CFD 335/4885TSHR 2691/4885ALDH1A1 4057/4885
US-20100256144-A1 Kallikrein 7 modulators KLK7, KLK5, KLKB1 CFD 335/4885TSHR 2691/4885ALDH1A1 4057/4885

“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.