SCHEMBL18153341

SCHEMBL18153341

CC(C)c1cc(Oc2ccc(F)cc2)nc(Cl)n1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
ATM Q13315 2/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
HTT P42858 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SCN9A Q15858 7/20 0.37
S1PR2 O95136 2/20 0.36
HTR2A P28223 1/20 0.36
SLC6A4 P31645 1/20 0.36
KCNH2 Q12809 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
FPR2 P25090 1/20 0.34

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
SCHEMBL3410924 0.80 ALDH1A1 (0.61) ALDH1A1ATMPOLBKDM4ECYP1A2
SCHEMBL18153300 0.79 MEN1 (0.51) ALDH1A1ATMPOLBKDM4ECYP1A2
SCHEMBL12228276 0.74 KDM4E (0.45) ALDH1A1POLBKDM4EMEN1KMT2A
SCHEMBL17609003 0.74 ATM (0.59) ALDH1A1ATMPOLBKDM4ECYP1A2
SCHEMBL3409718 0.74 ALDH1A1 (0.58) ALDH1A1ATMPOLBKDM4ECYP1A2
SCHEMBL23221445 0.73 ATM (0.49) ATMPOLBKDM4ECYP1A2CYP2C9
SCHEMBL22576253 0.73 ALDH1A1 (0.42) ALDH1A1KDM4ECYP1A2HTTL3MBTL1
SCHEMBL18153270 0.72 SLC6A2 (0.46) ALDH1A1POLBKDM4ECYP1A2CYP2C9
SCHEMBL13729611 0.71 MEN1 (0.48) ALDH1A1ATMPOLBKDM4EMEN1
SCHEMBL15578281 0.70 L3MBTL1 (0.49) ALDH1A1POLBKDM4ECYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3283472-B1 HEPATITIS B VIRAL ASSEMBLY EFFECTORS UNIV INDIANA RES & TECH CORP (US) 2021-04-14 EP disclosed
EP-3283472-B1 HEPATITIS B VIRAL ASSEMBLY EFFECTORS UNIV INDIANA RES & TECH CORP (US) 2021-04-14 EP disclosed
US-10273228-B2 Hepatitis B viral assembly effectors INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2019-04-30 US disclosed
US-10273228-B2 Hepatitis B viral assembly effectors INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2019-04-30 US disclosed
US-20180099952-A1 HEPATITIS B VIRAL ASSEMBLY EFFECTORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2018-04-12 US disclosed
US-20180099952-A1 HEPATITIS B VIRAL ASSEMBLY EFFECTORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2018-04-12 US disclosed
US-20180099952-A1 HEPATITIS B VIRAL ASSEMBLY EFFECTORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2018-04-12 US disclosed
EP-3283472-A1 HEPATITIS B VIRAL ASSEMBLY EFFECTORS Indiana University Research&Technology Corporation (US) 2018-02-21 EP disclosed
WO-2016168619-A1 HEPATITIS B VIRAL ASSEMBLY EFFECTORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2016-10-20 WO disclosed
WO-2016168619-A1 HEPATITIS B VIRAL ASSEMBLY EFFECTORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2016-10-20 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 (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-20180099952-A1 HEPATITIS B VIRAL ASSEMBLY EFFECTORS HAVCR2, MAVS, HCCS ALDH1A1 4332/4885ATM 3164/4885POLB 679/4885
US-10273228-B2 Hepatitis B viral assembly effectors HAVCR2, MAVS, HCCS ALDH1A1 4332/4885ATM 3164/4885POLB 679/4885

“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.