SCHEMBL17899359

SCHEMBL17899359

Brc1ccc(-c2ccc3ccc4ccc(-c5ccc(Br)cc5)nc4c3n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
RAB9A P51151 6/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
NPC1 O15118 4/20 0.44
MAPT P10636 3/20 0.44
NPSR1 Q6W5P4 2/20 0.42
ALDH1A1 P00352 2/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
METAP2 P50579 1/20 0.42
KDM4E B2RXH2 4/20 0.41
TLR9 Q9NR96 1/20 0.41
LMNA P02545 1/20 0.40
LTA4H P09960 1/20 0.39
POLB P06746 1/20 0.39
MCL1 Q07820 1/20 0.39
AGTR1 P30556 1/20 0.39
APP P05067 1/20 0.39

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
SCHEMBL30080785 1.00 RXFP1 (0.46) RXFP1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL17899360 0.92 ALDH1A1 (0.54) RXFP1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL29527488 0.92 ALDH1A1 (0.54) RXFP1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL17174142 0.90 RAB9A (0.42) RXFP1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL21849527 0.90 ALDH1A1 (0.58) RXFP1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL17174150 0.88 AGTR1 (0.44) RXFP1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL17174161 0.85 AGTR1 (0.49) RXFP1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL11973463 0.85 LMNA (0.55) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL17174140 0.84 AGTR1 (0.47) RXFP1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL10041709 0.82 CYP1A1 (0.51) RXFP1MEN1KMT2ARAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2896621-B1 NOVEL COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO (JP) 2018-04-25 EP disclosed
US-20180102484-A1 NEW COMPOUND, ORGANIC ELECTROLUMINESCENCE DEVICE MATERIAL, ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2018-04-12 US disclosed
US-9871206-B2 Compound, organic electroluminescence device material, organic electroluminescence device and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2018-01-16 US disclosed
US-20160197289-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-07-07 US disclosed
US-20160197289-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-07-07 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 (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-20180102484-A1 NEW COMPOUND, ORGANIC ELECTROLUMINESCENCE DEVICE MATERIAL, ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC DEVICE CBX8, MLX, HAX1 RXFP1 76/4885MEN1 1424/4885KMT2A 1095/4885

“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.