SCHEMBL3741189

SCHEMBL3741189

O=C(NCC(c1ccc(Cl)cc1)N1CCCCC1)c1sc(-c2ncccn2)nc1C(F)(F)F

nearest known ligand 0.84

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 6/20 0.84
TP53 P04637 7/20 0.55
LMNA P02545 4/20 0.52
THRB P10828 2/20 0.47
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.43
CYP2D6 P10635 1/20 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
SCHEMBL3736628 0.99 P2RX7 (0.85) P2RX7TP53LMNATHRBCYP2D6
SCHEMBL3751426 0.91 P2RX7 (1.00) P2RX7TP53LMNATHRBPOLB
SCHEMBL18818725 0.91 P2RX7 (1.00) P2RX7TP53LMNATHRBPOLB
SCHEMBL18824468 0.91 P2RX7 (1.00) P2RX7TP53LMNATHRBPOLB
SCHEMBL13043133 0.89 P2RX7 (0.68) P2RX7TP53LMNATHRBPOLB
SCHEMBL31016469 0.85 P2RX7 (0.89) P2RX7TP53LMNATHRBPOLB
SCHEMBL31016468 0.85 P2RX7 (0.89) P2RX7TP53LMNATHRBPOLB
SCHEMBL3742889 0.79 P2RX7 (0.64) P2RX7KMT2A
SCHEMBL13043131 0.79 P2RX7 (0.64) P2RX7KMT2A
SCHEMBL13971686 0.75 P2RX7 (0.54) P2RX7TP53LMNATHRB

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
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 P2RX7 268/4885TP53 2829/4885LMNA 3768/4885
US-20100292236-A1 5-Membered Heterocyclic Amides And Related Compounds GPR35, HCAR2, HCAR1 P2RX7 268/4885TP53 2829/4885LMNA 3768/4885

“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.