SCHEMBL21037673

SCHEMBL21037673

c1ccc2nc(-c3cc4ccccc4c4ccccc34)ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 13/20 0.50
NPC1 O15118 6/20 0.50
RAB9A P51151 6/20 0.50
CYP3A4 P08684 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
ALDH1A1 P00352 4/20 0.45
HSD17B10 Q99714 4/20 0.45
HIF1A Q16665 1/20 0.45
CYP1B1 Q16678 1/20 0.45
TP53 P04637 2/20 0.44
MAPT P10636 2/20 0.44
PKM P14618 2/20 0.44

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
SCHEMBL16696487 0.90 AR (0.43) ARNPC1RAB9ACYP3A4CYP1A2
SCHEMBL14184254 0.90 CYP11B1 (0.47) ARNPC1RAB9ACYP3A4MEN1
SCHEMBL13408682 0.87 AR (0.49) ARNPC1RAB9ACYP3A4CYP1A2
SCHEMBL16696494 0.84 ACHE (0.44) ARNPC1RAB9ACYP3A4CYP1A2
SCHEMBL22912464 0.83 CYP2A6 (0.44) ARNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL29986181 0.83 AR (0.53) ARNPC1RAB9ACYP3A4CYP1A2
SCHEMBL4514971 0.82 NPC1 (0.47) ARNPC1RAB9AMEN1KMT2A
SCHEMBL13045233 0.82 ALDH1A1 (0.46) CYP1A2ALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL17084835 0.82 RAB9A (0.43) ARNPC1RAB9ACYP3A4CYP1A2
SCHEMBL16696488 0.82 DHODH (0.44) ARNPC1RAB9ACYP3A4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10301330-B2 N, C-chelate four-coordinate organoborons with full colourtunability COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2019-05-28 US disclosed
CN-104725369-B Phenthazine containing binary and imidazole derivative, preparation method and organic luminescent device 吉林奥来德光电材料股份有限公司 2017-11-21 CN 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-10301330-B2 N, C-chelate four-coordinate organoborons with full colourtunability CNOT7, CDYL, CRY1 AR 2330/4885NPC1 458/4885RAB9A 1063/4885

“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.