SCHEMBL10045928

SCHEMBL10045928

CC(C)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 4/20 0.43
MCHR1 Q99705 2/20 0.43
CCR1 P32246 2/20 0.41
GPR6 P46095 1/20 0.41
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
HTT P42858 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 3/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL2624397 0.84 SMN1; SMN2 (0.55) MAPTSMN1; SMN2NPC1RAB9AHTT
SCHEMBL3233521 0.80 MAPT (0.45) CCR1GPR6MAPTSMN1; SMN2NPC1
SCHEMBL3233511 0.78 SMN1; SMN2 (0.43) GPR6MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL13990659 0.77 LMNA (0.41) NPBWR1MCHR1CCR1GPR6MAPT
SCHEMBL2862259 0.76 ACHE (0.45) GPR6MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL9608983 0.76 MAPT (0.47) CCR1GPR6MAPTSMN1; SMN2NPC1
SCHEMBL26135325 0.76 SMN1; SMN2 (0.42) NPBWR1MCHR1GPR6MAPTSMN1; SMN2
SCHEMBL2856949 0.75 LPAR1 (0.48) CCR1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL13513682 0.74 MAPT (0.57) CCR1GPR6MAPTSMN1; SMN2NPC1
SCHEMBL2852080 0.73 CCR1 (0.44) CCR1GPR6MAPTSMN1; SMN2KDM4E

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
EP-2595613-B1 COMPOUNDS FOR USE IN A METHOD OF PREVENTING OR TREATING VIRAL INFECTION US HEALTH (US) 2019-01-09 EP disclosed
US-8871789-B2 Method of preventing or treating viral infection THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2014-10-28 US disclosed
US-20130123344-A1 METHOD OF PREVENTING OR TREATING VIRAL INFECTION THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2013-05-16 US disclosed
WO-2012012627-A1 METHOD OF PREVENTING OR TREATING VIRAL INFECTION THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2012-01-26 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 (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-20130123344-A1 METHOD OF PREVENTING OR TREATING VIRAL INFECTION KDM1B, KDM1A, KDM2A NPBWR1 3431/4885MCHR1 3604/4885CCR1 851/4885

“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.