SCHEMBL3741865

SCHEMBL3741865

CSc1ccc(C(=O)NCCC23CC4CC(CC(C4)C2)C3)s1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.50
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
HDAC11 Q96DB2 1/20 0.45
EPHX2 P34913 7/20 0.45
PKM P14618 1/20 0.42
LIG1 P18858 1/20 0.42
ALDH1A1 P00352 2/20 0.40
HDAC8 Q9BY41 1/20 0.39

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
SCHEMBL3744090 0.88 P2RX7 (0.52) P2RX7KMT2AMEN1EPHX2ALDH1A1
SCHEMBL3752594 0.84 ALDH1A1 (0.55) P2RX7KMT2AMEN1HDAC11EPHX2
SCHEMBL13972625 0.75 EPHX2 (0.42) P2RX7EPHX2PKMLIG1ALDH1A1
SCHEMBL17012456 0.74 PKM (0.39) KMT2AMEN1PKMLIG1
SCHEMBL3751786 0.74 KDM4E (0.57) P2RX7KMT2AEPHX2ALDH1A1
SCHEMBL11718850 0.73 KMT2A (0.46) P2RX7KMT2AMEN1HDAC11EPHX2
SCHEMBL13753878 0.72 PKM (0.58) KMT2AMEN1PKMLIG1ALDH1A1
SCHEMBL3749723 0.70 P2RX7 (0.58) P2RX7KMT2AMEN1EPHX2ALDH1A1
SCHEMBL3749017 0.70 P2RX7 (0.52) P2RX7KMT2AMEN1HDAC11EPHX2
SCHEMBL11714923 0.70 KMT2A (0.45) P2RX7KMT2AMEN1HDAC11EPHX2

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 10 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
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

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 P2RX7 268/4885KMT2A 3781/4885MEN1 4162/4885
US-20100292236-A1 5-Membered Heterocyclic Amides And Related Compounds GPR35, HCAR2, HCAR1 P2RX7 268/4885KMT2A 3781/4885MEN1 4162/4885

“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.