SCHEMBL7328735

SCHEMBL7328735

c1ccc2c(NN3CCCCC3)cccc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.55
POLB P06746 1/20 0.55
KDM1A O60341 1/20 0.53
KDM4E B2RXH2 10/20 0.53
HSD17B10 Q99714 7/20 0.53
ALDH1A1 P00352 6/20 0.53
HPGD P15428 3/20 0.53
TSHR P16473 3/20 0.44
ATM Q13315 2/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
CDC25B P30305 1/20 0.44
SIGMAR1 Q99720 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
EPHX1 P07099 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 3/20 0.42

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
SCHEMBL20305775 0.98 KDM4E (0.54) LMNAPOLBKDM1AKDM4EHSD17B10
SCHEMBL11125142 0.82 KDM4E (0.51) LMNAPOLBKDM1AKDM4EHSD17B10
SCHEMBL6157148 0.77 POLB (0.55) LMNAPOLBKDM4EHSD17B10ALDH1A1
SCHEMBL10471655 0.73 KDM1A (0.43) LMNAPOLBKDM1AHSD17B10ALDH1A1
SCHEMBL11797025 0.73 MAPT (0.47) LMNAKDM1AKDM4EHSD17B10ALDH1A1
SCHEMBL3585695 0.72 NPSR1 (0.50) LMNAALDH1A1TSHRATMMEN1
Hydrochloric Acid SCHEMBL1010831 0.72 LMNA (0.51) LMNAPOLBKDM1AALDH1A1HPGD
SCHEMBL830750 0.71 KDM4E (0.74) LMNAPOLBKDM4EHSD17B10ALDH1A1
SCHEMBL9864702 0.71 KMT2A (0.46) POLBKDM1AKDM4EALDH1A1TSHR
SCHEMBL27604345 0.71 MAPT (0.45) LMNAPOLBKDM1AALDH1A1HPGD

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
US-10032993-B2 Aromatic heterocyclic compound, manufacturing method thereof, organic semiconductor material, and organic semiconductor device NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2018-07-24 US disclosed
CN-105073754-B Aromatic heterocyclic compounds, its manufacturing method and its application 新日铁住金化学株式会社 2018-07-06 CN disclosed
US-20160056390-A1 AROMATIC HETEROCYCLIC COMPOUND, MANUFACTURING METHOD THEREOF, ORGANIC SEMICONDUCTOR MATERIAL, AND ORGANIC SEMICONDUCTOR DEVICE NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2016-02-25 US disclosed
CN-105073754-A Aromatic heterocyclic compound, manufacturing method thereof, organic semiconductor material, and organic semiconductor device NIPPON STEEL & SUMIKIN CHEM CO 2015-11-18 CN disclosed
WO-1993025528-A1 NOVEL AMINOPROPANOL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME Richter Gedeon Vegyészeti Gyár Rt. (HU) 1993-12-23 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-20160056390-A1 AROMATIC HETEROCYCLIC COMPOUND, MANUFACTURING METHOD THEREOF, ORGANIC SEMICONDUCTOR MATERIAL, AND ORGANIC SEMICONDUCTOR DEVICE PAH, TYR, SLCO2A1 LMNA 4337/4885POLB 2455/4885KDM1A 415/4885
US-10032993-B2 Aromatic heterocyclic compound, manufacturing method thereof, organic semiconductor material, and organic semiconductor device PAH, TYR, SLCO2A1 LMNA 4337/4885POLB 2455/4885KDM1A 415/4885

“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.