SCHEMBL20283100

SCHEMBL20283100

C(=C/c1ccnn1-c1ccccc1)\c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 4/20 0.40
LMNA P02545 3/20 0.40
HPGD P15428 3/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 3/20 0.39
CYP2C9 P11712 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
GFER P55789 1/20 0.37
MAOB P27338 4/20 0.37
MAOA P21397 2/20 0.36
NFE2L2 Q16236 1/20 0.36

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
SCHEMBL2998093 0.77 POLB (0.44) POLBALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL2998092 0.77 POLB (0.44) POLBALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL1779238 0.77 POLB (0.52) POLBALDH1A1LMNAGAAMAPT
SCHEMBL8674209 0.70 POLB (0.57) POLBALDH1A1LMNAGAAMAPT
(Z)-1,2-Diphenylethene SCHEMBL27619643 0.67 MAOB (0.65) CYP11B1CYP11B2KMT2AALDH1A1LMNA
(Z)-1,2-Diphenylethene SCHEMBL3477795 0.67 MAOB (0.65) CYP11B1CYP11B2KMT2AALDH1A1LMNA
SCHEMBL8525606 0.67 CYP11B1 (0.45) CYP11B1CYP11B2KMT2AALDH1A1HPGD
(Z)-1,2-Diphenylethene SCHEMBL9134296 0.67 MAOB (0.73) CYP11B1CYP11B2KMT2AALDH1A1LMNA
(Z)-1,2-Diphenylethene SCHEMBL443 0.67 MAOB (0.73) CYP11B1CYP11B2KMT2AALDH1A1LMNA
(Z)-1,2-Diphenylethene SCHEMBL22712863 0.67 MAOB (0.73) CYP11B1CYP11B2KMT2AALDH1A1LMNA

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-10954215-B2 Compounds as modulators of ROR gamma BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-03-23 US disclosed
EP-3555065-B1 COMPOUNDS AS MODULATORS OF ROR GAMMA BOEHRINGER INGELHEIM INT (DE) 2021-02-24 EP disclosed
US-20200071298-A1 COMPOUNDS AS MODULATORS OF ROR GAMMA BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-03-05 US disclosed
WO-2018111803-A1 COMPOUNDS AS MODULATORS OF ROR GAMMA BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-06-21 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-10954215-B2 Compounds as modulators of ROR gamma RORB, RORC, RORA POLB 4032/4885CYP11B1 27/4885CYP11B2 31/4885
US-20200071298-A1 COMPOUNDS AS MODULATORS OF ROR GAMMA RORC, RORB, RORA POLB 4044/4885CYP11B1 29/4885CYP11B2 35/4885

“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.