SCHEMBL19640191

SCHEMBL19640191

COCCCOc1cc(CNC2(C(F)(F)F)CC2)c(Br)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 1/20 0.36
KDM4E B2RXH2 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HTT P42858 2/20 0.33
HPGD P15428 1/20 0.33
LMNA P02545 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SCN9A Q15858 2/20 0.31
CYP2D6 P10635 2/20 0.31
BACE1 P56817 2/20 0.31
KCNH2 Q12809 2/20 0.31
BACE2 Q9Y5Z0 2/20 0.31
CTSD P07339 1/20 0.31
CHEK1 O14757 1/20 0.31
MAPK1 P28482 1/20 0.31
POLB P06746 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
MEN1 O00255 1/20 0.30

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
SCHEMBL19643071 0.76 UTS2R (0.41) UTS2RKDM4ESMN1; SMN2ALDH1A1HTT
SCHEMBL19642808 0.75 UTS2R (0.39) UTS2RKDM4ESMN1; SMN2ALDH1A1HTT
SCHEMBL19640210 0.74 NPC1 (0.40) UTS2RKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL19640185 0.73 KDM4E (0.41) UTS2RKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL19640199 0.69 UTS2R (0.39) UTS2RKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL19663376 0.68 L3MBTL1 (0.39) UTS2RKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL19640213 0.68 UTS2R (0.35) UTS2RKDM4ESMN1; SMN2ALDH1A1HTT
SCHEMBL19640193 0.68 KDM4E (0.35) UTS2RKDM4ESMN1; SMN2ALDH1A1HTT
SCHEMBL19640186 0.68 L3MBTL1 (0.44) KDM4ESMN1; SMN2ALDH1A1HPGDLMNA
SCHEMBL21331685 0.67 KDM4E (0.43) KDM4ESMN1; SMN2ALDH1A1HPGDLMNA

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
US-10100052-B2 2018-10-16 US disclosed
US-20170342068-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTION GILEAD SCIENCES, INC. 2017-11-30 US disclosed
WO-2017205115-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTION GILEAD SCIENCES, INC. (US) 2017-11-30 WO disclosed
US-20170342068-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTION GILEAD SCIENCES, INC. 2017-11-30 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 (2 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-10100052-B2 HAVCR2, PYGL, FABP1 UTS2R 3336/4885KDM4E 4413/4885SMN1; SMN2 2109/4885
US-20170342068-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTION HAVCR2, PYGL, OAT UTS2R 3013/4885KDM4E 4217/4885SMN1; SMN2 3163/4885

“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.