SCHEMBL1799094

SCHEMBL1799094

CCCCN(N)CCCC

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
LMNA P02545 1/20 0.40
DNM1 Q05193 8/20 0.38
THRB P10828 1/20 0.38
ALDH1A1 P00352 2/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA9 Q16790 2/20 0.36
ALDH2 P05091 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
EPHX1 P07099 1/20 0.35
MAPT P10636 1/20 0.34

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
SCHEMBL1072254 1.00 TSHR (0.40) TSHRLMNADNM1THRBALDH1A1
Bromide SCHEMBL11380568 0.97 DNM1 (0.41) TSHRLMNADNM1THRBALDH1A1
SCHEMBL16333587 0.94 DNM1 (0.48) TSHRLMNADNM1THRBALDH1A1
SCHEMBL10436392 0.94
SCHEMBL23477342 0.94 DNM1 (0.48) TSHRLMNADNM1THRBALDH1A1
SCHEMBL10756471 0.91 DNM1 (0.52) TSHRDNM1THRBALDH1A1CA12
SCHEMBL8827942 0.91 DNM1 (0.52) TSHRDNM1THRBALDH1A1CA12
SCHEMBL10756027 0.91 DNM1 (0.52) TSHRDNM1THRBALDH1A1CA12
SCHEMBL28180394 0.91 DNM1 (0.52) TSHRDNM1THRBALDH1A1CA12
SCHEMBL27410697 0.91 DNM1 (0.52) TSHRDNM1THRBALDH1A1CA12

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871210-B2 Chemokine receptor antagonists and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2014-10-28 US disclosed
US-8822459-B2 Compound containing basic group and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2014-09-02 US disclosed
EP-1790639-B1 SPIROCYCLIC COMPOUNDS AND THEIR USE AS CXCR4-ANTAGONISTS ONO PHARMACEUTICAL CO (JP) 2014-03-26 EP disclosed
US-8680092-B2 Nitrogenous heterocyclic compound and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2014-03-25 US disclosed
US-20140072576-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2014-03-13 US disclosed
US-8618122-B2 Compound having acidic group which may be protected, and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2013-12-31 US disclosed
US-8614323-B2 Chemokine receptor antagonists and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2013-12-24 US disclosed
EP-2657235-A1 Compound containing basic group and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2013-10-30 EP disclosed
EP-1942108-B1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF ONO PHARMACEUTICAL CO (JP) 2013-09-04 EP disclosed
US-8519124-B2 Chemokine receptor antagonists and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2013-08-27 US disclosed
US-20090118279-A1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF ONO PHARMACEUTICAL CO., LTD., (JP) 2009-05-07 US disclosed
EP-2055705-A1 COMPOUND HAVING CYCLIC GROUP BOUND THERETO THROUGH SPIRO BINDING AND USE THEREOF Ono Pharmaceutical CO., LTD. (JP) 2009-05-06 EP disclosed
EP-2042503-A1 COMPOUND HAVING ACIDIC GROUP WHICH MAY BE PROTECTED, AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2009-04-01 EP disclosed
EP-1961744-A1 BASIC GROUP-CONTAINING COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2008-08-27 EP disclosed
EP-1942108-A1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2008-07-09 EP disclosed
US-20080009495-A1 Compound Containing Basic Group and Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2008-01-10 US disclosed
EP-1852432-A1 NITROGENOUS HETEROCYCLIC COMPOUND AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-11-07 EP disclosed
EP-1790639-A1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-05-30 EP disclosed
US-5064962-A DIAMINOTHIOPHENES BASF AKTIENGESELLSCHAFT (DE) 1991-11-12 US disclosed
EP-0384314-A2 Diaminothiophenes BASF Aktiengesellschaft (DE) 1990-08-29 EP 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-20140072576-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND USE THEREOF CXCR4, CXCR1, CXCR3 TSHR 935/4885LMNA 4789/4885DNM1 4594/4885
US-20090118279-A1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF CXCR4, CXCR1, CXCR3 TSHR 2323/4885LMNA 4671/4885DNM1 4687/4885
US-20080009495-A1 Compound Containing Basic Group and Use Thereof CXCR4, CCR5, CXCR3 TSHR 2187/4885LMNA 4419/4885DNM1 4521/4885

“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.