SCHEMBL2804989

SCHEMBL2804989

N=C(N)NCCCN1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
TSHR P16473 1/20 0.52
SIGMAR1 Q99720 5/20 0.47
HRH3 Q9Y5N1 1/20 0.46
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 1/20 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
SCHEMBL2804470 0.98 ALDH1A1 (0.48) ALDH1A1TSHRSIGMAR1HRH3GAA
Hydrochloric Acid SCHEMBL6339465 0.96 ALDH1A1 (0.47) ALDH1A1TSHRSIGMAR1HRH3GAA
SCHEMBL10310285 0.92 SIGMAR1 (0.50) ALDH1A1TSHRSIGMAR1HRH3SMN1; SMN2
SCHEMBL8000929 0.88 CA12 (0.53) ALDH1A1TSHRHRH3L3MBTL1
Guanethidine SCHEMBL28254486 0.88 CA12 (0.53) ALDH1A1TSHRHRH3L3MBTL1
Guanethidine SCHEMBL34753 0.88 CA12 (0.53) ALDH1A1TSHRHRH3L3MBTL1
Guanethidine SCHEMBL3128359 0.86 CA12 (0.52) ALDH1A1TSHRL3MBTL1
Guanethidine SCHEMBL22127050 0.86 CA12 (0.52) ALDH1A1TSHRL3MBTL1
Hydrochloric Acid SCHEMBL28128869 0.86 CA12 (0.52) ALDH1A1TSHRL3MBTL1
Guanethidine SCHEMBL15514378 0.86 CA12 (0.52) ALDH1A1TSHRL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025068710-A1 COMPOUNDS COMPRISING AN IMIDAZOLE CORE Tay Therapeutics Limited (GB) 2025-04-03 WO disclosed
EP-2379506-B1 SUBSTITUTED 5,6-DIHYDRO-6-PHENYLBENZO[F]ISOQUINOLIN-2-AMINE COMPOUNDS ARQULE INC (US) 2015-09-02 EP disclosed
US-8357694-B2 Substituted 5,6-dihydro-6-phenylbenzo[F]isoquinolin-2-amine compounds ARQULE, INC. (US) 2013-01-22 US disclosed
US-20100239525-A1 SUBSTITUTED 5,6-DIHYDRO-6-PHENYLBENZO[F]ISOQUINOLIN-2-AMINE COMPOUNDS ARQULE, INC. (US) 2010-09-23 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-20100239525-A1 SUBSTITUTED 5,6-DIHYDRO-6-PHENYLBENZO[F]ISOQUINOLIN-2-AMINE COMPOUNDS NQO1, DPYD, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 ALDH1A1 510/4885TSHR 4709/4885SIGMAR1 2817/4885

“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.