SCHEMBL3743955

SCHEMBL3743955

CCc1nc(-c2cccnc2)sc1C(=O)NCC1(c2cccnc2)CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 6/20 0.54
CYP1A2 P05177 4/20 0.45
CYP3A4 P08684 4/20 0.45
CYP2C19 P33261 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
FPR2 P25090 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
LMNA P02545 2/20 0.41
IDO1 P14902 1/20 0.41
MAPT P10636 1/20 0.40
SLC6A9 P48067 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CDC7 O00311 2/20 0.39
DBF4 Q9UBU7 2/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38

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
SCHEMBL3743001 0.90 P2RX7 (0.53) P2RX7MEN1KMT2AFPR2LMNA
SCHEMBL3745116 0.89 CYP1A2 (0.60) P2RX7CYP1A2CYP3A4CYP2C19MEN1
SCHEMBL3748126 0.84 P2RX7 (0.51) P2RX7CYP1A2CYP3A4CYP2C19MEN1
SCHEMBL3742209 0.82 CYP1A2 (0.56) P2RX7CYP1A2CYP3A4CYP2C19MEN1
SCHEMBL3744958 0.81 CYP1A2 (0.58) P2RX7CYP1A2CYP3A4CYP2C19MEN1
SCHEMBL3756042 0.80 CYP1A2 (0.61) P2RX7CYP1A2CYP3A4CYP2C19MEN1
SCHEMBL13043146 0.80 CYP1A2 (0.56) P2RX7CYP1A2CYP3A4CYP2C19MEN1
SCHEMBL3742923 0.79 CYP1A2 (0.55) P2RX7CYP1A2CYP3A4CYP2C19MEN1
SCHEMBL3744014 0.79 P2RX7 (0.57) P2RX7CYP1A2CYP3A4CYP2C19MEN1
SCHEMBL3748108 0.78 MEN1 (0.63) P2RX7CYP1A2CYP3A4CYP2C19MEN1

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
EP-2725022-B1 New amides as pest control agents BAYER CROPSCIENCE AG (DE) 2017-03-29 EP claimed
EP-2178865-B1 5-MEMBERED HETEROCYCLIC AMIDES AND RELATED COMPOUNDS LUNDBECK H AS (DK) 2015-08-19 EP claimed
US-20150005293-A1 5-Membered Heterocyclic Amides And Related Compounds MINDIMMUNE THERAPEUTICS, INC. 2015-01-01 US claimed
EP-2725022-B1 New amides as pest control agents BAYER CROPSCIENCE AG (DE) 2017-03-29 EP 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
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

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 268/4885CYP1A2 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.