SCHEMBL21047751

SCHEMBL21047751

O=C1CCC(N(c2nc3ccccc3o2)c2nc3ccccc3o2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.42
RAB9A P51151 8/20 0.42
SMN1; SMN2 Q16637 6/20 0.42
MAPT P10636 4/20 0.41
KMT2A Q03164 4/20 0.40
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
HPGD P15428 5/20 0.39
ALDH1A1 P00352 4/20 0.39
HSD17B10 Q99714 4/20 0.39
KDM4E B2RXH2 4/20 0.39
PKM P14618 3/20 0.39
MEN1 O00255 3/20 0.39
TP53 P04637 3/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
CASP1 P29466 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
SCHEMBL21047743 0.72 BCHE (0.41) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL21047886 0.71 RAB9A (0.61) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL21047795 0.71 ELANE (0.53) NPC1RAB9ASMN1; SMN2ALDH1A1PKM
SCHEMBL21047701 0.71 NPC1 (0.42) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL21047772 0.70 NCF1 (0.46) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL29586324 0.70 NCF1 (0.46) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL18344233 0.69 KMT2A (0.38) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL21047590 0.68 LMNA (0.48) NPC1RAB9ASMN1; SMN2KMT2AHPGD
SCHEMBL21047658 0.67 FAAH (0.30) FAAH
SCHEMBL6591666 0.67 MAPT (0.46) NPC1RAB9ASMN1; SMN2MAPTKMT2A

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-10450253-B2 Preparation process of perfluoroalkyl compound with monohydroperfluoroalkane as starting material KANTO DENKA KOGYO CO., LTD. (JP) 2019-10-22 US disclosed
EP-3495341-A1 METHOD FOR PRODUCING PERFLUOROALKYL COMPOUND USING MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL Kanto Denka Kogyo Co., Ltd. (JP) 2019-06-12 EP disclosed
US-20190169107-A1 PREPARATION PROCESS OF PERFLUOROALKYL COMPOUND WITH MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL NATIONAL UNIVERSITY CORPORATION GUNMA UNIVERSITY (JP) 2019-06-06 US disclosed
CN-109563016-A Using single hydrogen perfluoro alkane as the manufacturing method of the all-fluoroalkyl compound of starting material 关东电化工业株式会社 2019-04-02 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-20190169107-A1 PREPARATION PROCESS OF PERFLUOROALKYL COMPOUND WITH MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL PFKFB1, PFKFB4, PFAS NPC1 1884/4885RAB9A 3527/4885SMN1; SMN2 4623/4885
US-10450253-B2 Preparation process of perfluoroalkyl compound with monohydroperfluoroalkane as starting material PFKFB1, PFKFB4, PFAS NPC1 1884/4885RAB9A 3527/4885SMN1; SMN2 4623/4885

“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.