SCHEMBL411440

SCHEMBL411440

CCOc1c(I)cc(CO)nc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 1/20 0.37
ALDH1A1 P00352 3/20 0.36
S1PR4 O95977 2/20 0.35
PDE4D Q08499 1/20 0.35
CYP1A2 P05177 2/20 0.34
CYP2D6 P10635 2/20 0.34
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
NOTUM Q6P988 2/20 0.32
THRB P10828 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
S1PR1 P21453 2/20 0.31
TSHR P16473 2/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL16517376 0.83 KDM4E (0.36) ALDH1A1S1PR4PDE4DCYP1A2CYP2D6
SCHEMBL843578 0.81 KMT2A (0.33) S1PR4POLB
SCHEMBL16533544 0.81 S1PR4 (0.32) ALDH1A1S1PR4HTTTHRBKDM4E
SCHEMBL19944962 0.80 S1PR4 (0.32) S1PR4
SCHEMBL9973788 0.80 THRB (0.45) ALDH1A1S1PR4CYP1A2CYP2D6LMNA
SCHEMBL844045 0.80 HSD17B10 (0.35) S1PR4TSHRGAA
SCHEMBL440864 0.80 RORC (0.33) ALDH1A1S1PR4THRBKDM4E
SCHEMBL412065 0.78 RHEB (0.42) S1PR4THRB
SCHEMBL412279 0.75 KMT2A (0.43) ALDH1A1S1PR4LMNANOTUMKDM4E
SCHEMBL411890 0.71 TTR (0.36) ALDH1A1S1PR4CYP1A2LMNAHTT

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-9090599-B2 Heteroarylmethyl amides HOFFMANN-LA ROCHE INC. (US) 2015-07-28 US disclosed
US-20140194436-A1 HETEROARYLMETHYL AMIDES HOFFMANN-LA ROCHE INC. (US) 2014-07-10 US disclosed
US-8729105-B2 Heteroarylmethyl amides HOFFMANN LA-ROCHE INC. (US) 2014-05-20 US disclosed
US-20120065212-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 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-20140194436-A1 HETEROARYLMETHYL AMIDES APOB, LDLR, HMGCR BPTF 2051/4885ALDH1A1 569/4885S1PR4 1405/4885
US-20120065212-A1 HETEROARYLMETHYL AMIDES APOB, LDLR, HMGCR BPTF 2051/4885ALDH1A1 569/4885S1PR4 1405/4885

“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.