SCHEMBL3748773

SCHEMBL3748773

CCc1nc(-c2ncccn2)sc1C(=O)NCc1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.47
TSHR P16473 2/20 0.46
PPARD Q03181 1/20 0.46
PPARA Q07869 1/20 0.46
TP53 P04637 2/20 0.45
THRB P10828 1/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CHRM4 P08173 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KMT2A Q03164 3/20 0.43
POLB P06746 2/20 0.43
SCD O00767 1/20 0.43
PKM P14618 1/20 0.43
MEN1 O00255 2/20 0.43

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
SCHEMBL3749009 0.89 KMT2A (0.49) PPARATHRBLMNACHRM4CYP1A2
SCHEMBL3743964 0.88 PTGDR2 (0.45) TSHRALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL3747474 0.88 HPGD (0.53) EGLN1PPARAALDH1A1LMNASMN1; SMN2
SCHEMBL3747214 0.86 CHRM4 (0.46) CHRM4SCDP2RX7
SCHEMBL3751783 0.85 TSHR (0.55) TSHRLMNASMN1; SMN2HPGDKMT2A
SCHEMBL3736884 0.85 TSHR (0.44) TSHRALDH1A1LMNACYP1A2CYP2C19
SCHEMBL3749725 0.83 KMT2A (0.51) TSHRTP53ALDH1A1LMNASMN1; SMN2
SCHEMBL3743150 0.83 PPARA (0.55) PPARDPPARAALDH1A1SMN1; SMN2CYP1A2
SCHEMBL3754196 0.83 GRM4 (0.49) TSHRLMNAP2RX7
SCHEMBL3741871 0.82 EGLN1 (0.49) EGLN1THRBCHRM4KMT2ASCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133204-B2 5-membered heterocyclic amides and related compounds H. LUNDBECK A/S (DK) 2015-09-15 US disclosed
US-9133204-B2 5-membered heterocyclic amides and related compounds H. LUNDBECK A/S (DK) 2015-09-15 US disclosed
US-9133204-B2 5-membered heterocyclic amides and related compounds H. LUNDBECK A/S (DK) 2015-09-15 US disclosed
EP-2178865-B1 5-MEMBERED HETEROCYCLIC AMIDES AND RELATED COMPOUNDS LUNDBECK H AS (DK) 2015-08-19 EP disclosed
EP-2178865-B1 5-MEMBERED HETEROCYCLIC AMIDES AND RELATED COMPOUNDS LUNDBECK H AS (DK) 2015-08-19 EP disclosed
US-20150005293-A1 5-Membered Heterocyclic Amides And Related Compounds MINDIMMUNE THERAPEUTICS, INC. 2015-01-01 US disclosed
US-20150005293-A1 5-Membered Heterocyclic Amides And Related Compounds MINDIMMUNE THERAPEUTICS, INC. 2015-01-01 US disclosed
US-20150005293-A1 5-Membered Heterocyclic Amides And Related Compounds MINDIMMUNE THERAPEUTICS, INC. 2015-01-01 US disclosed
US-20100292236-A1 5-Membered Heterocyclic Amides And Related Compounds H. LUNDBECK A/S (DK) 2010-11-18 US disclosed
US-20100292236-A1 5-Membered Heterocyclic Amides And Related Compounds H. LUNDBECK A/S (DK) 2010-11-18 US disclosed
US-20100292236-A1 5-Membered Heterocyclic Amides And Related Compounds H. LUNDBECK A/S (DK) 2010-11-18 US disclosed
WO-2009012482-A2 5-MEMBERED HETEROCYCLIC AMIDES AND RELATED COMPOUNDS H.LUNDBECK A/S (DK) 2009-01-22 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 (2 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-20150005293-A1 5-Membered Heterocyclic Amides And Related Compounds GPR35, HCAR2, HCAR1 EGLN1 683/4885TSHR 72/4885PPARD 117/4885
US-20100292236-A1 5-Membered Heterocyclic Amides And Related Compounds GPR35, HCAR2, HCAR1 EGLN1 683/4885TSHR 72/4885PPARD 117/4885

“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.