SCHEMBL3779423

SCHEMBL3779423

Nc1ccc2c(c1)Cc1ccc(N)cc1C2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.60
ALDH1A1 P00352 5/20 0.60
LMNA P02545 4/20 0.60
RAB9A P51151 4/20 0.60
KDM4E B2RXH2 3/20 0.60
NPC1 O15118 3/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
HPGD P15428 2/20 0.60
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
TLR9 Q9NR96 1/20 0.48
CASP1 P29466 4/20 0.43
HSD17B10 Q99714 3/20 0.43
CASP7 P55210 2/20 0.43
GAA P10253 2/20 0.40
CA9 Q16790 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CYP3A4 P08684 4/20 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
SCHEMBL11950500 1.00 MAPT (0.60) MAPTALDH1A1LMNARAB9AKDM4E
Ammonia Solution, Strong SCHEMBL28721468 0.97
SCHEMBL807459 0.92 MAPT (0.72) MAPTALDH1A1LMNARAB9AKDM4E
SCHEMBL17460809 0.86 ALDH1A1 (0.48) MAPTALDH1A1LMNARAB9AKDM4E
SCHEMBL15308827 0.86 ALDH1A1 (0.48) MAPTALDH1A1LMNARAB9AKDM4E
SCHEMBL123584 0.86 RAB9A (0.78) MAPTALDH1A1LMNARAB9AKDM4E
SCHEMBL29372630 0.86 RAB9A (0.78) MAPTALDH1A1LMNARAB9AKDM4E
SCHEMBL24289315 0.85 MAPT (0.47) MAPTALDH1A1LMNARAB9AKDM4E
SCHEMBL19329523 0.85 CYP1A2 (0.50) MAPTALDH1A1LMNARAB9AKDM4E
Hydrochloric Acid SCHEMBL17417855 0.83 RAB9A (0.75) MAPTALDH1A1LMNARAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6256283-A None JP disclosed
US-10968392-B2 Liquid crystal aligning agent for photoalignment, liquid crystal alignment film and liquid crystal display device using it, and diamine and polymer JNC CORPORATION (JP) 2021-04-06 US disclosed
US-20190127643-A1 LIQUID CRYSTAL ALIGNING AGENT FOR PHOTOALIGNMENT, LIQUID CRYSTAL ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY DEVICE USING IT, AND DIAMINE AND POLYMER JNC CORPORATION (JP) 2019-05-02 US disclosed
US-20100331384-A1 GUANIDINE BASED COMPOUNDS UNIVERSIDAD DEL PAIS VASCO/EUSKAL HERRIKO UNIBERTSITATEA (ES) 2010-12-30 US disclosed
WO-2009080818-A2 GUANIDINE BASED COMPOUNDS THE PROVOST, FELLOWS AND SCHOLARS OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH NEAR DUBLIN (IE) 2009-07-02 WO disclosed
JP-H06256283-A ANTHRACENE DERIVATIVE AND ELECTRICALLY CONDUCTIVE CHARGE-TRANSFER COMPLEX COMPRISING THE SAME AS COMPONENT DAISO CO LTD 1994-09-13 JP 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-10968392-B2 Liquid crystal aligning agent for photoalignment, liquid crystal alignment film and liquid crystal display device using it, and diamine and polymer DDT, DCLRE1A, DVL1 MAPT 94/4885ALDH1A1 2734/4885LMNA 1453/4885
US-20100331384-A1 GUANIDINE BASED COMPOUNDS ADRB2, ADRA2A, ADRA2C MAPT 1804/4885ALDH1A1 870/4885LMNA 1928/4885

“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.