SCHEMBL13475403

SCHEMBL13475403

CN(C)Cc1cc(Br)cc(CN(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.46
ALDH1A1 P00352 3/20 0.44
TSHR P16473 2/20 0.44
GAA P10253 2/20 0.43
LMNA P02545 2/20 0.43
GSR P00390 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TAAR1 Q96RJ0 4/20 0.42
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
THRB P10828 1/20 0.37
G6PD P11413 1/20 0.37
PABPC1 P11940 1/20 0.37
KMT2A Q03164 1/20 0.37
HKDC1 Q2TB90 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL6121987 0.89 ALDH1A1 (0.41) HRH3ALDH1A1TSHRGAALMNA
SCHEMBL2528801 0.86 ALDH1A1 (0.55) HRH3ALDH1A1TSHRGAALMNA
SCHEMBL20837049 0.84 HRH3 (0.40) HRH3ALDH1A1TSHRGAALMNA
SCHEMBL27410305 0.84 HRH3 (0.40) HRH3ALDH1A1TSHRGAALMNA
SCHEMBL30934937 0.84 HRH3 (0.40) HRH3ALDH1A1TSHRGAALMNA
SCHEMBL18314385 0.84 ALDH1A1 (0.46) HRH3ALDH1A1TSHRGAALMNA
SCHEMBL19023363 0.81 CYP2C19 (0.47) HRH3ALDH1A1TSHRGAALMNA
SCHEMBL6121307 0.80 LMNA (0.41) HRH3ALDH1A1TSHRGAALMNA
SCHEMBL345830 0.80 SLC6A4 (0.43) HRH3ALDH1A1TSHRGAALMNA
SCHEMBL2394367 0.78 ALDH1A1 (0.51) HRH3ALDH1A1TSHRGAALMNA

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
US-8410247-B2 Water-soluble phosphinothiol reagents WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-04-02 US disclosed
US-8410247-B2 Water-soluble phosphinothiol reagents WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-04-02 US disclosed
US-20100048866-A1 WATER-SOLUBLE PHOSPHINOTHIOL REAGENTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-02-25 US disclosed
US-20100048866-A1 WATER-SOLUBLE PHOSPHINOTHIOL REAGENTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-02-25 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-20100048866-A1 WATER-SOLUBLE PHOSPHINOTHIOL REAGENTS PTMS, PHOSPHO1, ACP1 HRH3 3184/4885ALDH1A1 3577/4885TSHR 671/4885

“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.