SCHEMBL3674538

SCHEMBL3674538

NC(=O)N(c1cccc(C(F)(F)F)c1)c1cc(Cl)c(O)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 3/20 0.39
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
P2RX1 P51575 2/20 0.38
P2RX4 Q99571 2/20 0.38
P2RX7 Q99572 2/20 0.38
TMPRSS4 Q9NRS4 2/20 0.38
RORC P51449 1/20 0.38
RORB Q92753 1/20 0.38
KDR P35968 1/20 0.38
KIF11 P52732 2/20 0.37
CNR1 P21554 1/20 0.37
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
HTR3A P46098 1/20 0.37
HTR3D Q70Z44 1/20 0.37

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
SCHEMBL27653563 0.88 P2RX1 (0.41) CES2MEN1KMT2AALDH1A1P2RX1
SCHEMBL5606524 0.87 CES2 (0.50) CES2MEN1KMT2AALDH1A1KIF11
SCHEMBL28655154 0.85 CES2 (0.39) CES2MEN1KMT2AALDH1A1RORC
SCHEMBL28217598 0.83 PTGIR (0.46) CES2MEN1KMT2AKIF11HTR3E
SCHEMBL7739130 0.79 CES2 (0.50) CES2MEN1KMT2AALDH1A1P2RX1
SCHEMBL27742328 0.78 P2RX1 (0.44) CES2MEN1KMT2AP2RX1P2RX4
SCHEMBL27742325 0.78 TMPRSS4 (0.47) MEN1KMT2AP2RX1P2RX4P2RX7
SCHEMBL7738559 0.78 SRD5A2 (0.52) CES2MEN1KMT2AALDH1A1LMNA
SCHEMBL7609217 0.77 MEN1 (0.50) MEN1KMT2AALDH1A1P2RX1P2RX4
SCHEMBL7609002 0.77 SRD5A2 (0.55) CES2MEN1KMT2AALDH1A1RXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234349-A1 PHARMACEUTICAL COMBINATIONS OF A NICOTINE RECEPTOR MODULATOR AND A COGNITIVE ENHANCER NEUROSEARCH A/S (DK) 2010-09-16 US claimed

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-20100234349-A1 PHARMACEUTICAL COMBINATIONS OF A NICOTINE RECEPTOR MODULATOR AND A COGNITIVE ENHANCER CHRNA10, CHRNA4, CHRNA5 CES2 387/4885MEN1 4874/4885KMT2A 716/4885

“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.