SCHEMBL538053

SCHEMBL538053

Oc1cc2ccccc2nc1F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
HPGD P15428 3/20 0.59
KDM4E B2RXH2 3/20 0.59
GAA P10253 3/20 0.59
STAT3 P40763 1/20 0.59
GLA P06280 3/20 0.52
MAPT P10636 2/20 0.52
ACHE P22303 1/20 0.52
HSD17B14 Q9BPX1 1/20 0.41
MBNL1 Q9NR56 1/20 0.41
TRPM4 Q8TD43 1/20 0.40
HTR3A P46098 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NQO2 P16083 1/20 0.39
IKBKB O14920 1/20 0.39
KMT2A Q03164 3/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 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
SCHEMBL2172354 0.77 ALDH1A1 (0.56) ALDH1A1HPGDKDM4EGAASTAT3
SCHEMBL7159163 0.77 ALDH1A1 (0.63) ALDH1A1HPGDKDM4EGAASTAT3
SCHEMBL38652592 0.77 ALDH1A1 (0.63) ALDH1A1HPGDKDM4EGAASTAT3
SCHEMBL209889 0.77 ALDH1A1 (0.63) ALDH1A1HPGDKDM4EGAASTAT3
SCHEMBL5702613 0.77 ALDH1A1 (0.67) ALDH1A1HPGDKDM4EGAASTAT3
SCHEMBL538054 0.76 ALDH1A1 (0.54) ALDH1A1HPGDKDM4EGAASTAT3
SCHEMBL31047153 0.76 ALDH1A1 (0.54) ALDH1A1HPGDKDM4EGAASTAT3
SCHEMBL28643528 0.76 ALDH1A1 (0.54) ALDH1A1HPGDKDM4EGAASTAT3
Water SCHEMBL14722626 0.76 ALDH1A1 (0.61) ALDH1A1HPGDKDM4EGAASTAT3
Hydrochloric Acid SCHEMBL5594900 0.76 ALDH1A1 (0.61) ALDH1A1HPGDKDM4EGAASTAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110790760-B Fluorohydroxyquinolyl metal organic small molecular complex with aromatic group bridging naphthalimide and preparation method and application thereof 华南理工大学 2022-07-26 CN claimed
CN-102844304-A Nitrogen-containing heterocyclic compound and agricultural/horticultural bactericide NIPPON SODA CO (JP) 2012-12-26 CN claimed
CN-110790760-B Fluorohydroxyquinolyl metal organic small molecular complex with aromatic group bridging naphthalimide and preparation method and application thereof 华南理工大学 2022-07-26 CN disclosed
CN-103582633-B Nitrogen-containing heterocyclic compound and agricultural/horticultural bactericide NIPPON SODA CO.,LTD. (JP) 2016-01-20 CN disclosed
CN-102844304-B Nitrogen-containing heterocyclic compound and agricultural/horticultural bactericide NIPPON SODA CO 2014-12-31 CN disclosed
CN-103582633-A Nitrogen-containing heterocyclic compound and agricultural/horticultural bactericide NIPPON SODA CO 2014-02-12 CN disclosed
US-8598159-B2 Therapeutic pyrazoloquinoline derivatives DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2013-12-03 US disclosed
CN-102844304-A Nitrogen-containing heterocyclic compound and agricultural/horticultural bactericide NIPPON SODA CO (JP) 2012-12-26 CN disclosed
EP-2166852-B1 THERAPEUTIC PYRAZOLOQUINOLINE DERIVATIVES HELICON THERAPEUTICS INC (US) 2012-02-08 EP disclosed
US-20110065693-A1 THERAPEUTIC PYRAZOLOQUINOLINE DERIVATIVES HELICON THERAPEUTICS, INC. (US) 2011-03-17 US disclosed
US-7872002-B2 Therapeutic pyrazoloquinoline derivatives HELICON THERAPEUTICS, INC. (US) 2011-01-18 US disclosed
US-20080306049-A1 THERAPEUTIC PYRAZOLOQUINOLINE DERIVATIVES HELICON THERAPEUTICS, INC. (US) 2008-12-11 US disclosed
EP-1563852-B1 COMPOUNDS WHICH CAN BE USED TO DIAGNOSE AND MONITOR DISEASES ASSOCIATED WITH THE FORMATION OF AMYLOID PROTEIN FIBRILS CETIR CT MEDIC S A (ES) 2007-11-21 EP disclosed
EP-1563852-A1 COMPOUNDS WHICH CAN BE USED TO DIAGNOSE AND MONITOR DISEASES ASSOCIATED WITH THE FORMATION OF AMYLOID PROTEIN FIBRILS Cetir Centre Medic, S.A. (ES) 2005-08-17 EP disclosed
EP-0861864-B1 Method of preparation of polyquinolines HITACHI CHEMICAL CO LTD (JP) 2004-08-25 EP disclosed
EP-0861864-A2 Method of preparation of polyquinolines HITACHI CHEMICAL CO., LTD. (JP) 1998-09-02 EP disclosed
US-5786071-A Method of preparation of polyquinolines HITACHI CHEMICAL COMPANY, LTD. (JP) 1998-07-28 US disclosed
US-5723573-A ACETYLENIC END GROUPS HITACHI CHEMICAL COMPANY, LTD. (JP) 1998-03-03 US disclosed
US-5648448-A Method of preparation of polyquinolines HITACHI CHEMICAL COMPANY, LTD. (JP) 1997-07-15 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-20080306049-A1 THERAPEUTIC PYRAZOLOQUINOLINE DERIVATIVES GABRA5, GABRB1, GABRB2 ALDH1A1 587/4885HPGD 1684/4885KDM4E 2910/4885
US-20110065693-A1 THERAPEUTIC PYRAZOLOQUINOLINE DERIVATIVES GABRA5, GABRB1, GABRB2 ALDH1A1 587/4885HPGD 1684/4885KDM4E 2910/4885

“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.