SCHEMBL19640199

SCHEMBL19640199

COCCCOc1cc(CN(C)N)c(Br)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 2/20 0.39
KDM4E B2RXH2 4/20 0.36
L3MBTL1 Q9Y468 4/20 0.35
POLB P06746 2/20 0.35
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
LMNA P02545 2/20 0.34
MAOA P21397 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
DHFR P00374 2/20 0.33
MAPT P10636 3/20 0.32
CYP2C9 P11712 3/20 0.32
HPGD P15428 3/20 0.32
CYP2C19 P33261 3/20 0.32
CYP1A2 P05177 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL19640213 0.86 UTS2R (0.35) UTS2RKDM4EL3MBTL1POLBNPC1
SCHEMBL19640210 0.81 NPC1 (0.40) UTS2RKDM4EL3MBTL1POLBNPC1
SCHEMBL19640185 0.80 KDM4E (0.41) UTS2RKDM4EL3MBTL1POLBNPC1
SCHEMBL19640193 0.78 KDM4E (0.35) UTS2RKDM4EL3MBTL1POLBNPC1
SCHEMBL21331704 0.77 MAOA (0.42) KDM4EL3MBTL1POLBNPC1RAB9A
SCHEMBL19643071 0.76 UTS2R (0.41) UTS2RKDM4EL3MBTL1POLBNPC1
SCHEMBL19640186 0.75 L3MBTL1 (0.44) KDM4EL3MBTL1POLBNPC1RAB9A
SCHEMBL21331685 0.74 KDM4E (0.43) KDM4EL3MBTL1POLBNPC1RAB9A
SCHEMBL19663376 0.73 L3MBTL1 (0.39) UTS2RKDM4EL3MBTL1POLBNPC1
SCHEMBL19642808 0.73 UTS2R (0.39) UTS2RKDM4EL3MBTL1POLBNPC1

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 6 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
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
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 4413/4885L3MBTL1 3651/4885
US-20170342068-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTION HAVCR2, PYGL, OAT UTS2R 3013/4885KDM4E 4217/4885L3MBTL1 3432/4885

“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.