SCHEMBL6755331

SCHEMBL6755331

CC1(c2nc3ccccc3[nH]2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
NPSR1 Q6W5P4 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 2/20 0.48
ABCB11 O95342 1/20 0.48
TP53 P04637 1/20 0.48
PKM P14618 1/20 0.48
HSD17B10 Q99714 1/20 0.48
DDAH1 O94760 1/20 0.46
MASP2 O00187 1/20 0.46
MEN1 O00255 1/20 0.46
NUDT1 P36639 1/20 0.46
KMT2A Q03164 1/20 0.46
AOC3 Q16853 1/20 0.46
EPHX2 P34913 1/20 0.44
GAA P10253 1/20 0.43
PARP1 P09874 1/20 0.43
PARP2 Q9UGN5 1/20 0.43

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
SCHEMBL6753927 0.93 BCHE (0.46) ALDH1A1NPC1RAB9ANPSR1SMN1; SMN2
SCHEMBL1299519 0.90 PARP1 (0.54) ALDH1A1NPC1RAB9ANPSR1SMN1; SMN2
SCHEMBL665135 0.84 PARP1 (0.56) ALDH1A1NPC1RAB9ANPSR1SMN1; SMN2
SCHEMBL665968 0.83 PARP1 (0.59) RAB9ASMN1; SMN2TP53EPHX2PARP1
SCHEMBL664160 0.81 CHRNA7 (0.43) RAB9ADDAH1EPHX2PARP1HPGD
SCHEMBL665095 0.80 PARP1 (0.56) MEN1KMT2APARP1HTTBCHE
SCHEMBL663636 0.78 PARP1 (0.62) ALDH1A1MEN1KMT2APARP1HTT
SCHEMBL663733 0.78 PARP1 (0.60) RAB9ASMN1; SMN2TP53EPHX2PARP1
SCHEMBL19399631 0.78 PARP1 (0.51) ALDH1A1NPC1RAB9ANPSR1SMN1; SMN2
SCHEMBL2673301 0.78 ALDH1A1 (0.48) ALDH1A1NPC1RAB9ANPSR1SMN1; SMN2

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
US-20220064150-A1 SUBSTITUTED REVERSE PYRIMIDINE BMI-1 INHIBITORS PTC THERAPEUTICS INC (US) 2022-03-03 US disclosed
EP-2740730-B1 DIBENZOOXEPIN DERIVATIVE KYOWA HAKKO KIRIN CO LTD (JP) 2016-11-16 EP disclosed
US-8969345-B2 Dibenzooxepin derivative KYOWA HAKKO KIRIN CO., LTD. (JP) 2015-03-03 US disclosed
US-20140163008-A1 DIBENZOOXEPIN DERIVATIVE KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-06-12 US disclosed
EP-2740730-A1 DIBENZOOXEPIN DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2014-06-11 EP disclosed
US-6712262-B2 BENZIMIDAZOLE AND IODINE COMPOUNDS TAMURAKAKEN CORPORATION (JP) 2004-03-30 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-20220064150-A1 SUBSTITUTED REVERSE PYRIMIDINE BMI-1 INHIBITORS BMI1, BRPF3, BAZ2A ALDH1A1 1803/4885NPC1 2830/4885RAB9A 2804/4885
US-20140163008-A1 DIBENZOOXEPIN DERIVATIVE PPARA, PPARG, PPARD ALDH1A1 1394/4885NPC1 3607/4885RAB9A 3097/4885

“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.