SCHEMBL4546341

SCHEMBL4546341

CNc1cccc2cccnc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.62
POLB P06746 1/20 0.62
HTT P42858 4/20 0.61
GLO1 Q04760 3/20 0.61
ALOX15 P16050 2/20 0.61
CYP3A4 P08684 2/20 0.56
CYP1A2 P05177 1/20 0.56
MAPT P10636 5/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
LMNA P02545 2/20 0.54
KDM4E B2RXH2 2/20 0.54
MMP2 P08253 2/20 0.54
TSHR P16473 2/20 0.54
GMNN O75496 1/20 0.54
TP53 P04637 1/20 0.54
HSP90AA1 P07900 1/20 0.54
CYP2D6 P10635 1/20 0.54
MMP9 P14780 1/20 0.54
NFKB1 P19838 1/20 0.54
MMP8 P22894 1/20 0.54

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
Hydrochloric Acid SCHEMBL28172351 0.98 TDP1 (0.60) TDP1POLBHTTGLO1ALOX15
Quinoline SCHEMBL28127501 0.89 ALDH1A1 (0.57) TDP1POLBHTTGLO1ALOX15
SCHEMBL16029958 0.85 TDP1 (0.52) TDP1POLBHTTGLO1ALOX15
SCHEMBL18768618 0.84 TDP1 (0.58) TDP1POLBHTTGLO1ALOX15
SCHEMBL379216 0.83 GLO1 (0.59) TDP1POLBHTTGLO1ALOX15
SCHEMBL2622219 0.82 HTT (0.56) TDP1POLBHTTGLO1ALOX15
SCHEMBL7774451 0.79 CYP3A4 (0.61) TDP1POLBHTTGLO1ALOX15
SCHEMBL13337941 0.79 MEN1 (0.56) TDP1POLBHTTGLO1ALOX15
SCHEMBL31130165 0.79 CYP3A4 (0.61) TDP1POLBHTTGLO1ALOX15
SCHEMBL17749155 0.79 GLO1 (0.56) TDP1POLBHTTGLO1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN claimed
CN-104620104-B Affinity Reagents for Protein Purification 非凡食品有限公司 2017-03-01 CN claimed
CN-102649786-A Preparation method for 2, 4-diamino-5-(8-dimethylamino-7-methyl-5-quinolyl Methyl)-2, 4-(1H and 3H) pyrimidine ZHENGZHOU FUYUAN ANIMAL PHARMACEUTICAL CO LTD 2012-08-29 CN claimed
US-20230329081-A1 Light Emitting Device and Composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-10-12 US disclosed
US-20230329081-A1 Light Emitting Device and Composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-10-12 US disclosed
US-20230320113-A1 Light Emitting Device and Composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-10-05 US disclosed
US-20230320113-A1 Light Emitting Device and Composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-10-05 US disclosed
US-20230303537-A1 NITROGEN-CONTAINING COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC DEVICE THEREOF SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-09-28 US disclosed
EP-3932927-B1 METAL COMPLEX AND COMPOSITION INCLUDING SAID METAL COMPLEX SUMITOMO CHEMICAL CO (JP) 2023-09-27 EP disclosed
US-11770941-B2 Film production method SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-09-26 US disclosed
US-11770941-B2 Film production method SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-09-26 US disclosed
US-7005489-B2 Zwitterionic Metallocycles EQUISTAR CHEMICALS, LP (US) 2006-02-28 US disclosed
WO-2005033154-A1 ZWITTERIONIC METALLOCYCLES EQUISTAR CHEMICALS, LP (US) 2005-04-14 WO disclosed
US-20050070728-A1 Zwitterionic metallocycles EQUISTAR CHEMICALS, LP 2005-03-31 US disclosed
WO-1999029670-A2 AMINOCARBONYLTETRALIN AND DIHYDRONAPHTALENE DERIVATES AS THROMBIN INHIBITORS BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-06-17 WO disclosed
US-5405843-A Anticancer drug potentiators MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1995-04-11 US disclosed
EP-0363212-B1 Novel heterocyclic compounds and anticancer-drug reinforcing agents containing them as effective components MITSUI TOATSU CHEMICALS (JP) 1995-01-04 EP disclosed
US-5204348-A Quinoline derivatives MITSUI TOATSU CHEMICALS INC. (JP) 1993-04-20 US disclosed
US-5112817-A Anticancer Drug Potentiators MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1992-05-12 US disclosed
US-4113717-A Quaternized azo dyestuffs IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1978-09-12 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-20050070728-A1 Zwitterionic metallocycles ZW10, ZKSCAN2, SLC39A14 TDP1 4431/4885POLB 152/4885HTT 4611/4885
US-20230303537-A1 NITROGEN-CONTAINING COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC DEVICE THEREOF NPM1, NFE2L2, MNS1 TDP1 2031/4885POLB 2160/4885HTT 3849/4885

“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.