SCHEMBL20135675

SCHEMBL20135675

Cc1ccc2sc(C3CCNCC3)nc2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.68
RAB9A P51151 1/20 0.68
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
UBE2M P61081 3/20 0.43
DCUN1D1 Q96GG9 3/20 0.43
LMNA P02545 3/20 0.43
HTR2C P28335 2/20 0.43
ALDH1A1 P00352 3/20 0.42
ALOX12 P18054 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 2/20 0.41
MAPT P10636 2/20 0.41
DYRK1A Q13627 1/20 0.40
THRB P10828 1/20 0.40
KCNH2 Q12809 2/20 0.39
ROCK2 O75116 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
SLC6A2 P23975 1/20 0.36

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
SCHEMBL29688848 1.00 NPC1 (0.68) NPC1RAB9AMEN1KMT2AUBE2M
SCHEMBL20791625 0.88 MEN1 (0.64) NPC1RAB9AMEN1KMT2AUBE2M
Hydrochloric Acid SCHEMBL20135246 0.87 MEN1 (0.62) NPC1RAB9AMEN1KMT2AUBE2M
SCHEMBL13082023 0.85 NPC1 (0.49) NPC1RAB9AMEN1KMT2AUBE2M
SCHEMBL25922623 0.82 NPC1 (0.68) NPC1RAB9AMEN1KMT2AUBE2M
SCHEMBL12209530 0.82 NPC1 (0.97) NPC1RAB9AMEN1KMT2AUBE2M
SCHEMBL7967354 0.82 NPC1 (0.68) NPC1RAB9AMEN1KMT2AUBE2M
SCHEMBL7971282 0.82 RAB9A (0.64) NPC1RAB9AMEN1KMT2AUBE2M
SCHEMBL23010591 0.81 UBE2M (0.50) NPC1RAB9AMEN1KMT2AUBE2M
SCHEMBL30551597 0.81 NPC1 (0.94) NPC1RAB9AMEN1KMT2AUBE2M

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107922347-B Novel imide derivatives and their use as pharmaceuticals 田边三菱制药株式会社 2022-06-28 CN disclosed
WO-2021030620-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS NUVATION BIO INC. (US) 2021-02-18 WO disclosed
US-10407408-B2 Imide derivatives and use thereof as medicine MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-09-10 US disclosed
US-20190077787-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-03-14 US disclosed
EP-3321256-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE Mitsubishi Tanabe Pharma Corporation (JP) 2018-05-16 EP disclosed
CN-107922347-A New imide derivative and its purposes as medicine 田边三菱制药株式会社 2018-04-17 CN 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-20190077787-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE MMP9, MMP10, MMP1 NPC1 4881/4885RAB9A 270/4885MEN1 3735/4885
US-10407408-B2 Imide derivatives and use thereof as medicine MMP9, MMP2, MMP1 NPC1 4882/4885RAB9A 345/4885MEN1 2913/4885

“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.