SCHEMBL19640185

SCHEMBL19640185

COCCCOc1cc(CO)c(Br)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 2/20 0.40
L3MBTL1 Q9Y468 6/20 0.38
POLB P06746 2/20 0.38
UTS2R Q9UKP6 1/20 0.37
HPGD P15428 5/20 0.36
USP2 O75604 2/20 0.36
ALDH1A1 P00352 4/20 0.36
CYP1A2 P05177 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 4/20 0.35
CYP2C9 P11712 3/20 0.35
CYP2C19 P33261 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ALOX12 P18054 1/20 0.35

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
SCHEMBL19640210 0.86 NPC1 (0.40) KDM4ENPC1RAB9ASMN1; SMN2LMNA
SCHEMBL21331685 0.81 KDM4E (0.43) KDM4ENPC1RAB9ASMN1; SMN2LMNA
SCHEMBL6828066 0.80 TAAR1 (0.47) NPC1
SCHEMBL19643071 0.80 UTS2R (0.41) KDM4ENPC1RAB9ASMN1; SMN2LMNA
SCHEMBL19640199 0.80 UTS2R (0.39) KDM4ENPC1RAB9ASMN1; SMN2LMNA
SCHEMBL19663376 0.80 L3MBTL1 (0.39) KDM4ENPC1RAB9ASMN1; SMN2LMNA
SCHEMBL19640186 0.80 L3MBTL1 (0.44) KDM4ENPC1RAB9ASMN1; SMN2LMNA
SCHEMBL21331704 0.78 MAOA (0.42) KDM4ENPC1RAB9ASMN1; SMN2LMNA
SCHEMBL19642808 0.77 UTS2R (0.39) KDM4ENPC1RAB9ASMN1; SMN2LMNA
SCHEMBL19640213 0.77 UTS2R (0.35) KDM4ENPC1RAB9ASMN1; SMN2LMNA

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
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
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 KDM4E 4413/4885NPC1 31/4885RAB9A 2522/4885
US-20170342068-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTION HAVCR2, PYGL, OAT KDM4E 4217/4885NPC1 40/4885RAB9A 3145/4885

“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.