SCHEMBL17086136

SCHEMBL17086136

NC(=O)/C=C/c1cnc(-c2ccccc2)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
HPGDS O60760 2/20 0.45
ESR1 P03372 1/20 0.45
CYP1B1 Q16678 4/20 0.42
CYP1A2 P05177 3/20 0.42
CYP1A1 P04798 2/20 0.42
HTT P42858 1/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
MAPT P10636 3/20 0.41
PLIN1 O60240 2/20 0.41
LMNA P02545 2/20 0.41

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
SCHEMBL28522678 1.00 PTGS1 (0.46) PTGS1PTGS2RAB9ANPC1SMN1; SMN2
SCHEMBL3654383 0.84 TNFRSF1A (0.44) RAB9ANPC1SMN1; SMN2RELACYP1B1
SCHEMBL3654382 0.84 TNFRSF1A (0.44) RAB9ANPC1SMN1; SMN2RELACYP1B1
SCHEMBL6878322 0.80 KDM4E (0.62) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL6878313 0.80 KDM4E (0.62) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL3655667 0.77 ALDH1A1 (0.44) RAB9ANPC1SMN1; SMN2CYP1A2ALDH1A1
SCHEMBL3655664 0.77 ALDH1A1 (0.44) RAB9ANPC1SMN1; SMN2CYP1A2ALDH1A1
SCHEMBL2455356 0.77 HDAC2 (0.65) SMN1; SMN2ESR1CYP1B1CYP1A2HTT
SCHEMBL2455358 0.77 HDAC2 (0.65) SMN1; SMN2ESR1CYP1B1CYP1A2HTT
SCHEMBL649508 0.76 MAPT (0.67) RAB9ANPC1SMN1; SMN2NFKB1NFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230019129-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2023-01-19 US disclosed
US-10947224-B2 Hepatitis B core protein allosteric modulators INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2021-03-16 US disclosed
EP-3607950-A2 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS Indiana University Research & Technology Corporation (US) 2020-02-12 EP disclosed
EP-3116316-B1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS UNIV INDIANA RES & TECH CORP (US) 2019-07-10 EP disclosed
EP-3116316-B1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS UNIV INDIANA RES & TECH CORP (US) 2019-07-10 EP disclosed
US-10183936-B2 Hepatitis B core protein allosteric modulators INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2019-01-22 US disclosed
US-20170015658-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2017-01-19 US disclosed
US-20170015658-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2017-01-19 US disclosed
WO-2015138895-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2015-09-17 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 (4 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-20170015658-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS HAVCR2, MAVS, FABP1 PTGS1 4241/4885PTGS2 3915/4885RAB9A 763/4885
US-20230019129-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS HAVCR2, MAVS, FABP1 PTGS1 4241/4885PTGS2 3915/4885RAB9A 763/4885
US-10183936-B2 Hepatitis B core protein allosteric modulators HAVCR2, MAVS, FABP1 PTGS1 4241/4885PTGS2 3915/4885RAB9A 763/4885
US-10947224-B2 Hepatitis B core protein allosteric modulators HAVCR2, MAVS, FABP1 PTGS1 4241/4885PTGS2 3915/4885RAB9A 763/4885

“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.