SCHEMBL3748108

SCHEMBL3748108

Cc1nc(-c2cccnc2)sc1C(=O)NCC1(c2ccc(C(F)(F)F)cc2)CCCCC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
MAPT P10636 2/20 0.63
CYP1A2 P05177 4/20 0.53
CYP3A4 P08684 4/20 0.53
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
PPARD Q03181 3/20 0.47
CYP2C19 P33261 3/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
LMNA P02545 1/20 0.47
PPARA Q07869 7/20 0.46
P2RX7 Q99572 1/20 0.46
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
PPARG P37231 3/20 0.45
CHRM4 P08173 1/20 0.44
HDAC3 O15379 1/20 0.44

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
SCHEMBL13043146 0.91 CYP1A2 (0.56) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL3744958 0.90 CYP1A2 (0.58) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL3756042 0.89 CYP1A2 (0.61) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL3745116 0.89 CYP1A2 (0.60) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL3742923 0.88 CYP1A2 (0.55) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL3742209 0.87 CYP1A2 (0.56) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL3748137 0.84 CYP1A2 (0.51) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL3748126 0.82 P2RX7 (0.51) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL3743496 0.80 CYP1A2 (0.59) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL3744014 0.79 P2RX7 (0.57) MEN1KMT2AMAPTCYP1A2CYP3A4

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 9 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
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-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

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 MEN1 4162/4885KMT2A 3781/4885MAPT 4086/4885
US-20100292236-A1 5-Membered Heterocyclic Amides And Related Compounds GPR35, HCAR2, HCAR1 MEN1 4162/4885KMT2A 3781/4885MAPT 4086/4885

“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.