SCHEMBL3764435

SCHEMBL3764435

C[C@@H](NC(=O)c1cccc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1)c1cccc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RHOC P08134 1/20 0.55
RHOA P61586 1/20 0.55
KCNK3 O14649 2/20 0.52
P2RX1 P51575 2/20 0.51
LMNA P02545 1/20 0.51
MEN1 O00255 1/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50
HDAC3 O15379 1/20 0.49
CYP2C9 P11712 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
KCNK9 Q9NPC2 1/20 0.49
MAPT P10636 1/20 0.49
RXFP1 Q9HBX9 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
PTGS1 P23219 1/20 0.47

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
SCHEMBL3771503 1.00 RHOC (0.55) RHOCRHOAKCNK3P2RX1LMNA
SCHEMBL6813377 0.87 NPSR1 (0.64) LMNAMEN1HTTKMT2AHDAC3
SCHEMBL6813375 0.87 NPSR1 (0.64) LMNAMEN1HTTKMT2AHDAC3
SCHEMBL3771065 0.85 KCNK3 (0.58) KCNK3HDAC3CYP2C9HDAC1HDAC6
SCHEMBL3772371 0.85 KCNK3 (0.58) KCNK3HDAC3CYP2C9HDAC1HDAC6
SCHEMBL4089254 0.84 ACKR3 (0.44) RHOCRHOAKCNK3LMNAMAPT
SCHEMBL3771456 0.81 MEN1 (0.55) KCNK3MEN1RAB9AKMT2AKCNK9
SCHEMBL3779790 0.81 MEN1 (0.55) KCNK3MEN1RAB9AKMT2AKCNK9
SCHEMBL3768839 0.81 MEN1 (0.60) MEN1RAB9AKMT2AMAPT
SCHEMBL3772902 0.81 MEN1 (0.60) MEN1RAB9AKMT2AMAPT

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-20100324086-A1 COMPOUNDS AND METHODS NOVASAID AB (SE) 2010-12-23 US claimed
WO-2009103778-A1 COMPOUNDS AND METHODS NOVASAID AB (SE) 2009-08-27 WO claimed
US-20100324086-A1 COMPOUNDS AND METHODS NOVASAID AB (SE) 2010-12-23 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-20100324086-A1 COMPOUNDS AND METHODS IL1B, LITAF, CYP11B1 RHOC 4277/4885RHOA 4089/4885KCNK3 1692/4885

“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.