SCHEMBL303477

SCHEMBL303477

CCCCCCCCCCCCCCCCCC[N]CC

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.52
TSHR P16473 4/20 0.50
THRB P10828 1/20 0.50
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
DNM1 Q05193 6/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
HSD17B10 Q99714 1/20 0.38
SLC22A1 O15245 1/20 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
SCHEMBL2435635 1.00 NAAA (0.52) NAAATSHRTHRBMEN1KMT2A
SCHEMBL271380 1.00
SCHEMBL303005 1.00 NAAA (0.52) NAAATSHRTHRBMEN1KMT2A
SCHEMBL4604995 1.00 NAAA (0.52) NAAATSHRTHRBMEN1KMT2A
SCHEMBL3801573 1.00 NAAA (0.52) NAAATSHRTHRBMEN1KMT2A
SCHEMBL2536851 1.00 NAAA (0.52) NAAATSHRTHRBMEN1KMT2A
SCHEMBL56917 0.97
SCHEMBL9848564 0.94 NAAA (0.52) NAAATSHRTHRBMEN1KMT2A
SCHEMBL277225 0.90 TSHR (0.61) NAAATSHRTHRBMEN1KMT2A
SCHEMBL9206028 0.90 TSHR (0.61) NAAATSHRTHRBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9255070-B2 Method of deuteration using mixed catalyst WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2016-02-09 US disclosed
US-8093422-B2 Method for deuteration of an aromatic ring WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-01-10 US disclosed
US-7517990-B2 Method for deuteration of a heterocyclic ring WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2009-04-14 US disclosed
US-20080234488-A1 Method of Deuteration Using Mixed Catalyst WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2008-09-25 US disclosed
US-20070255076-A1 Method for Deuteration of an Aromatic Ring WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2007-11-01 US disclosed
EP-1707548-A1 METHOD OF DEUTERATION USING MIXED CATALYST Wako Pure Chemical Industries, Ltd. (JP) 2006-10-04 EP disclosed
US-20060025596-A1 Method for deuteration or tritiation of heterocyclic ring FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2006-02-02 US disclosed
EP-1561741-A1 METHOD FOR DEUTERATION OR TRITIATION OF HETEROCYCLIC RING Wako Pure Chemical Industries, Ltd. (JP) 2005-08-10 EP disclosed
EP-1535889-A1 METHOD OF DEUTERATING AROMATIC RING Wako Pure Chemical Industries, Ltd. (JP) 2005-06-01 EP disclosed
EP-0929609-B1 SUBSTITUTED PHTHALOCYANINES AND THEIR USE CIBA SC HOLDING AG (CH) 2002-06-19 EP disclosed
US-6087492-A METALLIZED PHTHALOCYANINE DYES CIBA SPECIALTY CHEMICALS CORPORATION (US) 2000-07-11 US disclosed
EP-0929609-A1 SUBSTITUTED PHTHALOCYANINES AND THEIR USE Ciba SC Holding AG (CH) 1999-07-21 EP disclosed
WO-1998014520-A1 SUBSTITUTED PHTHALOCYANINES AND THEIR USE CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 1998-04-09 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 (3 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-20060025596-A1 Method for deuteration or tritiation of heterocyclic ring HRH2, HRH4, HDHD5 NAAA 566/4885TSHR 1299/4885THRB 3448/4885
US-20080234488-A1 Method of Deuteration Using Mixed Catalyst HDHD5, DHX35, HRH3 NAAA 490/4885TSHR 2222/4885THRB 4403/4885
US-20070255076-A1 Method for Deuteration of an Aromatic Ring HRH3, HRH4, AHR NAAA 338/4885TSHR 2185/4885THRB 4024/4885

“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.