SCHEMBL3743433

SCHEMBL3743433

CCc1nc(-c2ncccn2)sc1C(=O)NCc1ccc(OC)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.51
ALDH1A1 P00352 2/20 0.50
TSHR P16473 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
TP53 P04637 4/20 0.49
MAPT P10636 4/20 0.48
LMNA P02545 1/20 0.48
TAS1R3 Q7RTX0 2/20 0.48
TAS1R1 Q7RTX1 2/20 0.48
HTT P42858 2/20 0.47
GAA P10253 1/20 0.47
PKM P14618 1/20 0.47
HPGD P15428 1/20 0.47
RXFP1 Q9HBX9 2/20 0.47
MEN1 O00255 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
NAMPT P43490 1/20 0.46

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
SCHEMBL3743927 0.89 HPGD (0.51) MAOBALDH1A1HTTGAAPKM
SCHEMBL3747474 0.85 HPGD (0.53) ALDH1A1MAPTLMNAGAAHPGD
SCHEMBL3751769 0.83 EGLN1 (0.50) MAOBALDH1A1TP53MAPTLMNA
SCHEMBL3745208 0.80 MAOB (0.46) MAOBLMNAMEN1KMT2A
SCHEMBL3751783 0.80 TSHR (0.55) TSHRLMNAHPGDMAPK1KMT2A
SCHEMBL3749854 0.80 HSD17B13 (0.48) TP53ROCK2
SCHEMBL3749725 0.79 KMT2A (0.51) MAOBALDH1A1TSHRTP53MAPT
SCHEMBL3754196 0.78 GRM4 (0.49) TSHRLMNAMAPK1ROCK2
SCHEMBL3736884 0.78 TSHR (0.44) ALDH1A1TSHRNPSR1MAPTLMNA
SCHEMBL3744842 0.77 EPHX2 (0.43) NPSR1LMNAKMT2A

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 11 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
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 MAOB 915/4885ALDH1A1 875/4885TSHR 72/4885
US-20100292236-A1 5-Membered Heterocyclic Amides And Related Compounds GPR35, HCAR2, HCAR1 MAOB 915/4885ALDH1A1 875/4885TSHR 72/4885

“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.