SCHEMBL3744014

SCHEMBL3744014

Cc1nc(-c2ncccn2)sc1C(=O)NCC1(c2cccnc2)CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 7/20 0.57
CYP1A2 P05177 4/20 0.46
CYP3A4 P08684 4/20 0.46
LMNA P02545 3/20 0.42
CYP2C19 P33261 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL3745116 0.90 CYP1A2 (0.60) P2RX7CYP1A2CYP3A4LMNACYP2C19
SCHEMBL3743001 0.89 P2RX7 (0.53) P2RX7LMNAMEN1KMT2AALDH1A1
SCHEMBL3745240 0.87 P2RX7 (0.51) P2RX7CYP1A2CYP3A4LMNACYP2C19
SCHEMBL3742209 0.84 CYP1A2 (0.56) P2RX7CYP1A2CYP3A4LMNACYP2C19
SCHEMBL3744958 0.82 CYP1A2 (0.58) P2RX7CYP1A2CYP3A4LMNACYP2C19
SCHEMBL13043146 0.81 CYP1A2 (0.56) P2RX7CYP1A2CYP3A4LMNACYP2C19
SCHEMBL3756042 0.81 CYP1A2 (0.61) P2RX7CYP1A2CYP3A4LMNACYP2C19
SCHEMBL3742923 0.80 CYP1A2 (0.55) P2RX7CYP1A2CYP3A4LMNACYP2C19
SCHEMBL3745857 0.80 P2RX7 (0.45) P2RX7
SCHEMBL3748108 0.79 MEN1 (0.63) P2RX7CYP1A2CYP3A4LMNACYP2C19

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
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-8507554-B2 Quorum sensing antagonist and method of reducing a bacterial contamination using the quorum sensing antagonist SEOUL NATIONAL UNIVERSITY INDUSTRY FOUNDATION (KR) 2013-08-13 US disclosed
US-20100292261-A1 QUORUM SENSING ANTAGONIST, METHOD OF PREVENTING A BIOFILM FORMATION USING THE QUORUM SENSING ANTAGONIST AND METHOD OF REDUCING A BACTERIAL CONTAMINATION USING THE QUORUM SENSING ANTAGONIST SEOUL NATIONAL UNIVERSITY INDUSTRY FOUNDATION (KR) 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
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
WO-2008069374-A1 QUORUM SENSING ANTAGONIST, METHOD OF PREVENTING A BIOFILM FORMATION USING THE QUORUM SENSING ANTAGONIST AND METHOD OF REDUCING A BACTERIAL CONTAMINATION USING THE QUORUM SENSING ANTAGONIST SEOUL NATIONAL UNIVERSITY INDUSTRY FOUNDATION (KR) 2008-06-12 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 (3 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-20100292261-A1 QUORUM SENSING ANTAGONIST, METHOD OF PREVENTING A BIOFILM FORMATION USING THE QUORUM SENSING ANTAGONIST AND METHOD OF REDUCING A BACTERIAL CONTAMINATION USING THE QUORUM SENSING ANTAGONIST BLVRB, PGLS, O60361 P2RX7 2032/4885CYP1A2 2807/4885CYP3A4 3831/4885
US-20150005293-A1 5-Membered Heterocyclic Amides And Related Compounds GPR35, HCAR2, HCAR1 P2RX7 268/4885CYP1A2 810/4885CYP3A4 1191/4885
US-20100292236-A1 5-Membered Heterocyclic Amides And Related Compounds GPR35, HCAR2, HCAR1 P2RX7 268/4885CYP1A2 810/4885CYP3A4 1191/4885

“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.