SCHEMBL10192133

SCHEMBL10192133

CCOC(=O)Nc1ccc(F)c(C)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.57
RAB9A P51151 5/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
KDM4E B2RXH2 3/20 0.57
CYP1A2 P05177 3/20 0.55
CYP2C9 P11712 3/20 0.55
CYP2C19 P33261 3/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
HTT P42858 1/20 0.55
HSD17B10 Q99714 3/20 0.54
LMNA P02545 2/20 0.54
MAPT P10636 2/20 0.54
MAPK1 P28482 1/20 0.54
POLB P06746 1/20 0.54
HPGD P15428 4/20 0.53
ALDH1A1 P00352 4/20 0.53
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
TSHR P16473 2/20 0.50

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
SCHEMBL10192205 0.89 HPGD (0.56) NPC1RAB9ASMN1; SMN2KDM4ECYP1A2
SCHEMBL1274778 0.89 HPGD (0.63) NPC1RAB9ASMN1; SMN2KDM4ECYP1A2
SCHEMBL8251624 0.87 SMN1; SMN2 (0.58) NPC1RAB9ASMN1; SMN2KDM4ECYP1A2
SCHEMBL10192206 0.85 NPC1 (0.51) NPC1RAB9ASMN1; SMN2KDM4ECYP1A2
SCHEMBL11440992 0.85 POLB (0.62) NPC1RAB9ASMN1; SMN2KDM4ECYP1A2
SCHEMBL7906464 0.84 KCNQ3 (0.58) NPC1RAB9ASMN1; SMN2KDM4ECYP1A2
SCHEMBL28120947 0.81 RAB9A (0.55) NPC1RAB9ASMN1; SMN2KDM4ECYP1A2
SCHEMBL1250097 0.81 RAB9A (0.67) NPC1RAB9ASMN1; SMN2KDM4ECYP1A2
SCHEMBL7565510 0.80 RAB9A (0.71) NPC1RAB9ASMN1; SMN2KDM4ECYP1A2
SCHEMBL15886353 0.80 HPGD (0.78) NPC1RAB9ASMN1; SMN2POLBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
US-7973069-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-07-05 US disclosed
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 US disclosed
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-11-18 US disclosed
WO-2007084435-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO 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 (3 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-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS NPC1 297/4885RAB9A 3975/4885SMN1; SMN2 4525/4885
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS NPC1 87/4885RAB9A 2829/4885SMN1; SMN2 3609/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS NPC1 87/4885RAB9A 2829/4885SMN1; SMN2 3609/4885

“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.