SCHEMBL8404407

SCHEMBL8404407

Cc1ccc2c(C)ccn2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.39
RAB9A P51151 8/20 0.39
KDM4E B2RXH2 7/20 0.39
ALDH1A1 P00352 6/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
KMT2A Q03164 3/20 0.39
PAX8 Q06710 2/20 0.39
MEN1 O00255 2/20 0.39
MITF O75030 1/20 0.39
KDM5A P29375 1/20 0.39
KDM5C P41229 1/20 0.39
PKM P14618 4/20 0.36
TP53 P04637 3/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
TSHR P16473 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
APP P05067 2/20 0.35
GAA P10253 3/20 0.34

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
SCHEMBL25044248 0.77 KDM4E (0.36) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL17037349 0.73 ALDH1A1 (0.40) KDM4EALDH1A1APPGAAL3MBTL1
SCHEMBL10123585 0.73 ALDH1A1 (0.35) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL4397520 0.68 KDM4E (0.41) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL7167679 0.68 ALDH1A1 (0.56) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL14752052 0.64 NPC1 (0.37) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL4566858 0.62 ALOX15 (0.50) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL4566857 0.62 ALDH1A1 (0.48) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL20116280 0.61 NPC1 (0.39) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL11974 0.60

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023249872-A1 SUBSTITUTED FUSED BICYCLIC COMPOUNDS AND RELATED METHODS OF TREATMENT ALKERMES, INC. (US) 2023-12-28 WO disclosed
US-11667667-B2 Steroid derivative FXR agonist CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-06-06 US disclosed
US-11667667-B2 Steroid derivative FXR agonist CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-06-06 US disclosed
WO-2021093795-A1 ROCK INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF 武汉朗来科技发展有限公司 2021-05-20 WO disclosed
US-20210040140-A1 Steroid Derivative FXR Agonist CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2021-02-11 US disclosed
US-10875888-B2 Steroid derivative FXR agonist CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2020-12-29 US disclosed
EP-2439204-B1 HETEROCYCLIC COMPOUND AND HEMATOPOIETIC STEM CELL AMPLIFIER NISSAN CHEMICAL IND LTD (JP) 2017-01-04 EP disclosed
EP-2218716-B1 METHOD FOR AMPLIFYING HEMATOPOIETIC STEM CELLS USING HETEROCYCLIC COMPOUND NISSAN CHEMICAL IND LTD (JP) 2016-11-16 EP disclosed
US-9328085-B2 Heterocyclic compounds and expansion agents for hematopoietic stem cells NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-05-03 US disclosed
US-9328085-B2 Heterocyclic compounds and expansion agents for hematopoietic stem cells NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-05-03 US disclosed
US-20140227780-A1 METHOD FOR PRODUCING MEGAKARYOCYTES AND/OR PLATELETS FROM PLURIPOTENT STEM CELLS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2014-08-14 US disclosed
EP-2765187-A1 METHOD FOR PRODUCING MEGAKARYOCYTES AND/OR PLATELETS FROM PLURIPOTENT STEM CELLS Nissan Chemical Industries, Ltd. (JP) 2014-08-13 EP disclosed
US-20130245255-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-09-19 US disclosed
US-20130245255-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-09-19 US disclosed
WO-2013051625-A1 METHOD FOR PRODUCING MEGAKARYOCYTES AND/OR PLATELETS FROM PLURIPOTENT STEM CELLS 日産化学工業株式会社 (JP) 2013-04-11 WO disclosed
US-20120128640-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2012-05-24 US disclosed
US-20120128640-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2012-05-24 US disclosed
EP-2439204-A1 HETEROCYCLIC COMPOUND AND HEMATOPOIETIC STEM CELL AMPLIFIER Nissan Chemical Industries, Ltd. (JP) 2012-04-11 EP disclosed
WO-2010140685-A1 HETEROCYCLIC COMPOUND AND HEMATOPOIETIC STEM CELL AMPLIFIER 日産化学工業株式会社 (JP) 2010-12-09 WO disclosed
EP-2218716-A1 METHOD FOR AMPLIFYING HEMATOPOIETIC STEM CELLS USING HETEROCYCLIC COMPOUND Nissan Chemical Industries, Ltd. (JP) 2010-08-18 EP 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 (5 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-20130245255-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS HCLS1, RUNX1, RCC1 NPC1 1311/4885RAB9A 1719/4885KDM4E 2096/4885
US-20120128640-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS HCLS1, RUNX1, RCC1 NPC1 1311/4885RAB9A 1719/4885KDM4E 2096/4885
US-11667667-B2 Steroid derivative FXR agonist NR1H4, SLC10A1, FXR1 NPC1 76/4885RAB9A 2902/4885KDM4E 3803/4885
US-20210040140-A1 Steroid Derivative FXR Agonist NR1H4, SLC10A1, FXR1 NPC1 76/4885RAB9A 2902/4885KDM4E 3803/4885
US-10875888-B2 Steroid derivative FXR agonist NR1H4, SLC10A1, FXR1 NPC1 76/4885RAB9A 2902/4885KDM4E 3803/4885

“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.