SCHEMBL17548887

SCHEMBL17548887

Brc1ccc(-c2nc(-c3ccc(-c4ccccc4)cc3)c3sc4ccccc4c3n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1B1 Q16678 4/20 0.42
▸ CYP1A2 P05177 3/20 0.42
▸ CYP1A1 P04798 2/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ ATM Q13315 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ ABCG2 Q9UNQ0 2/20 0.39
▸ NR1H4 Q96RI1 1/20 0.39
▸ TNKS O95271 2/20 0.38
▸ TNKS2 Q9H2K2 2/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38

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
SCHEMBL23327832 0.99 CYP1B1 (0.43) CYP1B1CYP1A2CYP1A1SMN1; SMN2NPC1
SCHEMBL20068415 0.99 CYP1B1 (0.43) CYP1B1CYP1A2CYP1A1SMN1; SMN2NPC1
SCHEMBL31192065 0.99 CYP1B1 (0.43) CYP1B1CYP1A2CYP1A1SMN1; SMN2NPC1
SCHEMBL18017762 0.93 MEN1 (0.44) CYP1A2MEN1KMT2AATMALDH1A1
SCHEMBL18017760 0.93 MEN1 (0.44) CYP1A2MEN1KMT2AATMALDH1A1
SCHEMBL16902195 0.93 MEN1 (0.44) CYP1A2MEN1KMT2AATMALDH1A1
SCHEMBL16902239 0.93 MEN1 (0.44) CYP1A2MEN1KMT2AATMALDH1A1
SCHEMBL18017898 0.93 MEN1 (0.44) CYP1A2MEN1KMT2AATMALDH1A1
SCHEMBL18017773 0.93 MEN1 (0.44) CYP1A2MEN1KMT2AATMALDH1A1
SCHEMBL18017908 0.93 MEN1 (0.44) CYP1A2MEN1KMT2AATMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170256719-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRICAL ELEMENT USING COMPOUND, AND ELECTRONIC DEVICE COMPRISING SAME DUK SAN NEOLUX CO., LTD (KR) 2017-09-07 — — US disclosed
US-20170256719-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRICAL ELEMENT USING COMPOUND, AND ELECTRONIC DEVICE COMPRISING SAME DUK SAN NEOLUX CO., LTD (KR) 2017-09-07 — — US disclosed
WO-2016032150-A2 COMPOUND FOR ORGANIC ELECTRICAL ELEMENT, ORGANIC ELECTRICAL ELEMENT USING COMPOUND, AND ELECTRONIC DEVICE COMPRISING SAME 덕산네오룩스 주식회사 2016-03-03 — — 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 (1 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-20170256719-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRICAL ELEMENT USING COMPOUND, AND ELECTRONIC DEVICE COMPRISING SAME ORAI2, VDAC2, PIEZO1 CYP1B1 1915/4885CYP1A2 780/4885CYP1A1 880/4885

“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.

Send feedback