SCHEMBL3778640

SCHEMBL3778640

O=C(NCc1cccc2ccccc12)c1cccc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RHOC P08134 1/20 0.57
RHOA P61586 1/20 0.57
MAPT P10636 3/20 0.55
LMNA P02545 2/20 0.55
TP53 P04637 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
KCNK3 O14649 1/20 0.54
P2RX1 P51575 3/20 0.53
BCHE P06276 3/20 0.52
RXFP1 Q9HBX9 1/20 0.50
CA2 P00918 1/20 0.49
P2RX3 P56373 1/20 0.49
P2RX4 Q99571 1/20 0.49
P2RX7 Q99572 1/20 0.49
PTGS1 P23219 1/20 0.49

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
SCHEMBL3770493 0.84 KCNK3 (0.60) MAPTLMNASMN1; SMN2KCNK3BCHE
SCHEMBL6724672 0.84 MAPT (0.64) MAPTLMNATP53SMN1; SMN2KCNK3
SCHEMBL7612923 0.83 CHRNB2 (0.58) MAPTLMNATP53SMN1; SMN2BCHE
SCHEMBL3771548 0.81 BCHE (0.68) MAPTLMNATP53SMN1; SMN2BCHE
SCHEMBL3771262 0.79 MAPT (0.71) MAPTLMNASMN1; SMN2BCHE
SCHEMBL3777748 0.79 MAPT (0.67) MAPTLMNATP53SMN1; SMN2BCHE
SCHEMBL3774815 0.78 TP53 (0.58) MAPTLMNATP53SMN1; SMN2KCNK3
SCHEMBL3774731 0.78 MAPT (0.54) MAPTLMNATP53SMN1; SMN2BCHE
SCHEMBL3779966 0.78 MAPT (0.54) MAPTLMNATP53SMN1; SMN2BCHE
SCHEMBL3771748 0.78 PTGES (0.69) MAPTLMNASMN1; SMN2KCNK3BCHE

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 2 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
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 4089/4885MAPT 1426/4885

“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.