SCHEMBL20178540

SCHEMBL20178540

CCc1cccc(-c2nnn(C)n2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.45
BCL2 P10415 1/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 1/20 0.41
NISCH Q9Y2I1 1/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
ACLY P53396 1/20 0.40
MAPK1 P28482 1/20 0.39
NOTUM Q6P988 1/20 0.39
KIFC1 Q9BW19 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
SCHEMBL11955729 0.86 KMT2A (0.48) BCL2RAB9ASMN1; SMN2NPC1L3MBTL1
SCHEMBL23850221 0.86 RAB9A (0.42) RAB9ASMN1; SMN2NPC1L3MBTL1ALDH1A1
SCHEMBL8811272 0.81 RAB9A (0.44) RAB9ASMN1; SMN2NPC1L3MBTL1ALDH1A1
SCHEMBL13846211 0.80 KMT2A (0.60) RAB9ASMN1; SMN2NPC1L3MBTL1KMT2A
SCHEMBL513853 0.78 LMNA (0.54) IDO1RAB9ASMN1; SMN2NPC1L3MBTL1
SCHEMBL8212790 0.78 ACLY (0.53) RAB9ASMN1; SMN2NPC1L3MBTL1TRPM8
SCHEMBL16330642 0.77 PPARA (0.39) RAB9ASMN1; SMN2NPC1KMT2AALDH1A1
SCHEMBL1823889 0.77 TRPM8 (0.42) RAB9ASMN1; SMN2NPC1ALDH1A1LMNA
SCHEMBL8205448 0.77 XPO1 (0.48) IDO1RAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL926466 0.77 LMNA (0.45) RAB9ASMN1; SMN2NPC1KMT2AALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2020-03-24 US disclosed
US-20180141941-A1 UREA-CONTAINING ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2018-05-24 US disclosed
US-8653075-B2 Therapeutic methods employing substituted piperidines which are CCR3 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-18 US disclosed
US-20130023517-A1 Therapeutic methods employing substituted piperidines which are CCR3 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-24 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 (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-20180141941-A1 UREA-CONTAINING ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF NR1H4, FXR1, SLC10A1 IDO1 2385/4885BCL2 4692/4885RAB9A 2852/4885
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof NR1H4, FXR1, SLC10A1 IDO1 2385/4885BCL2 4692/4885RAB9A 2852/4885
US-20130023517-A1 Therapeutic methods employing substituted piperidines which are CCR3 antagonists CCR3, CCR1, CCR4 IDO1 951/4885BCL2 4368/4885RAB9A 1934/4885

“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.