SCHEMBL3524036

SCHEMBL3524036

CC(NC(=O)CSc1nc2ccccc2s1)C(Cc1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.54
CCR3 P51677 1/20 0.54
ALDH1A1 P00352 6/20 0.53
KMT2A Q03164 2/20 0.53
MAPT P10636 5/20 0.53
MEN1 O00255 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
TSHR P16473 1/20 0.50
POLB P06746 3/20 0.49
HPGD P15428 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
FDFT1 P37268 2/20 0.48
HSD17B10 Q99714 1/20 0.48
APEX1 P27695 1/20 0.48
RECQL P46063 1/20 0.48
PKM P14618 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL13804711 1.00 CCR1 (0.54) CCR1CCR3ALDH1A1KMT2AMAPT
SCHEMBL5263205 0.83 ALOX15 (0.57) CCR1KMT2AMEN1TDP1TSHR
SCHEMBL13804745 0.82 MAPT (0.51) ALDH1A1KMT2AMAPTMEN1TSHR
SCHEMBL3526373 0.82 MAPT (0.51) ALDH1A1KMT2AMAPTMEN1TSHR
SCHEMBL4689000 0.81 ALDH1A1 (0.60) CCR1CCR3ALDH1A1KMT2AMAPT
SCHEMBL13804756 0.80 AHR (0.53) ALDH1A1KMT2AMAPTMEN1TDP1
SCHEMBL3530193 0.80 AHR (0.53) ALDH1A1KMT2AMAPTMEN1TDP1
SCHEMBL13804713 0.79 POLB (0.59) ALDH1A1KMT2AMAPTMEN1TSHR
SCHEMBL3528791 0.79 POLB (0.59) ALDH1A1KMT2AMAPTMEN1TSHR
SCHEMBL12890287 0.78 ALDH1A1 (0.70) ALDH1A1KMT2AMAPTTSHRPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1496838-A4 SUBSTITUTED AMIDES MERCK & CO INC (US) 2008-07-02 EP claimed
US-20050234061-A1 Substituted amides MERCK SHARP & DOHME CORP. 2005-10-20 US claimed
EP-1496838-A2 SUBSTITUTED AMIDES Merck & Co., Inc. (US) 2005-01-19 EP claimed
US-20040058820-A1 Central nervous system disorders; psychological disorders; antiinflammatory agents; multiple sclerosis MERCK SHARP & DOHME LLC 2004-03-25 US claimed
WO-2003077847-A2 SUBSTITUTED AMIDES MERCK & CO., INC. (US) 2003-09-25 WO claimed
US-7816534-B2 Substituted amides MERCK SHARP & DOHME CORP. (US) 2010-10-19 US disclosed
US-20090258884-A1 Substituted amides MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
US-7550489-B2 Substituted pyridyoxy amides MERCK & CO., INC. (US) 2009-06-23 US disclosed
US-20080171692-A1 Substituted amides MERCK SHARP & DOHME CORP. 2008-07-17 US disclosed
EP-1496838-A4 SUBSTITUTED AMIDES MERCK & CO INC (US) 2008-07-02 EP disclosed
US-6972295-B2 Substituted amides MERCK & CO., INC. (US) 2005-12-06 US disclosed
US-20050234061-A1 Substituted amides MERCK SHARP & DOHME CORP. 2005-10-20 US disclosed
EP-1496838-A2 SUBSTITUTED AMIDES Merck & Co., Inc. (US) 2005-01-19 EP disclosed
US-20040058820-A1 Central nervous system disorders; psychological disorders; antiinflammatory agents; multiple sclerosis MERCK SHARP & DOHME LLC 2004-03-25 US disclosed
WO-2003077847-A2 SUBSTITUTED AMIDES MERCK & CO., INC. (US) 2003-09-25 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 (4 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-20080171692-A1 Substituted amides CNR1, CNR2, FAAH CCR1 173/4885CCR3 558/4885ALDH1A1 2986/4885
US-20040058820-A1 Central nervous system disorders; psychological disorders; antiinflammatory agents; multiple sclerosis CNR1, CNR2, MAG CCR1 98/4885CCR3 397/4885ALDH1A1 3568/4885
US-20090258884-A1 Substituted amides CNR1, CNR2, FAAH CCR1 173/4885CCR3 558/4885ALDH1A1 2986/4885
US-20050234061-A1 Substituted amides CNR1, CNR2, FAAH CCR1 173/4885CCR3 558/4885ALDH1A1 2986/4885

“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.