SCHEMBL30131014

SCHEMBL30131014

CCOc1ccc2cc(F)nn2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.41
NPC1 O15118 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
PKM P14618 2/20 0.38
MAPT P10636 4/20 0.38
TSHR P16473 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
TP53 P04637 2/20 0.35
CYP3A4 P08684 1/20 0.35
ALDH1A1 P00352 3/20 0.35
RAB9A P51151 2/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL24882742 0.73 LTA4H (0.35) NQO1NPC1MEN1KMT2AMAPT
SCHEMBL24882740 0.73 MAPT (0.34) NQO1NPC1MEN1KMT2AMAPT
SCHEMBL25421011 0.71 DRD2 (0.45) NQO1NPC1MEN1KMT2APKM
SCHEMBL24882885 0.69 CSF1R (0.41) NPC1RAB9A
SCHEMBL30131026 0.66 ALDH1A1 (0.36) NQO1MEN1KMT2APKMMAPT
1,4-Diethoxybenzene SCHEMBL11794798 0.65 NQO1 (0.93) NQO1NPC1MAPTTSHRTDP1
SCHEMBL24687082 0.64 NQO1 (0.54) NQO1TSHRTDP1LTA4H
SCHEMBL21835235 0.62 HRH2 (0.45) MEN1KMT2ACASP3SENP8SENP7
1,4-Diethoxybenzene SCHEMBL124015 0.62 NQO1 (1.00) NQO1NPC1MAPTTSHRTDP1
1,4-Diethoxybenzene SCHEMBL28186701 0.62 NQO1 (1.00) NQO1NPC1MAPTTSHRTDP1

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-20250084100-A1 METHOD FOR PREPARING NITROGEN-CONTAINING POLYCYCLIC FUSED RING COMPOUND, AND INTERMEDIATE AND USE OF COMPOUND APPLIED PHARMACEUTICAL SCIENCE, INC. (CN) 2025-03-13 US disclosed
EP-4368621-A1 METHOD FOR PREPARING NITROGEN-CONTAINING POLYCYCLIC FUSED RING COMPOUND, AND INTERMEDIATE AND USE OF COMPOUND Applied Pharmaceutical Science, Inc. (CN) 2024-05-15 EP disclosed
WO-2023280073-A1 METHOD FOR PREPARING NITROGEN-CONTAINING POLYCYCLIC FUSED RING COMPOUND, AND INTERMEDIATE AND USE OF COMPOUND 北京志健金瑞生物医药科技有限公司 2023-01-12 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-20250084100-A1 METHOD FOR PREPARING NITROGEN-CONTAINING POLYCYCLIC FUSED RING COMPOUND, AND INTERMEDIATE AND USE OF COMPOUND RANBP1, RANBP2, RAN NQO1 576/4885NPC1 372/4885MEN1 502/4885

“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.