SCHEMBL19149059

SCHEMBL19149059

Cc1nc(Cl)c([N+](=O)[O-])cc1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
DTYMK P23919 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 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
SCHEMBL31482906 1.00 TSHR (0.45) TSHRALDH1A1MEN1KMT2ADTYMK
SCHEMBL27772700 0.89 TSHR (0.46) TSHRALDH1A1DTYMKL3MBTL1POLB
SCHEMBL38666634 0.88 TSHR (0.49) TSHRALDH1A1MEN1KMT2ADTYMK
Hydrochloric Acid SCHEMBL10553172 0.83 KEAP1 (0.51) TSHRALDH1A1DTYMKKEAP1NFE2L2
SCHEMBL707784 0.83 PDGFRB (0.49) TSHRALDH1A1MEN1KMT2AL3MBTL1
Nitrous Acid SCHEMBL27793944 0.83 TSHR (0.42) TSHRALDH1A1DTYMKL3MBTL1POLB
SCHEMBL1317569 0.81 ALDH1A1 (0.41) TSHRALDH1A1DTYMKTDP1KEAP1
SCHEMBL8832668 0.79 TSHR (0.46) TSHRDTYMKL3MBTL1POLBTDP1
SCHEMBL12489104 0.79 TSHR (0.46) TSHRALDH1A1DTYMKL3MBTL1POLB
SCHEMBL8832665 0.79 TSHR (0.46) TSHRDTYMKL3MBTL1POLBTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365558-A1 TETRAHYDROISOQUINOLINE DERIVATIVE AND USE THEREOF MEDSHINE DISCOVERY INC. (CN) 2023-11-16 US disclosed
EP-4219461-A1 TETRAHYDROISOQUINOLINE DERIVATIVE AND USE THEREOF Medshine Discovery Inc. (CN) 2023-08-02 EP disclosed
US-11001569-B2 6-membered heteroaromatic substituted cyanoindoline derivatives as NIK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2021-05-11 US disclosed
US-20200138827-A1 SMALL MOLECULE MODULATORS OF HUMAN STING CURADEV PHARMA LIMITED (GB) 2020-05-07 US disclosed
EP-3642184-A1 SMALL MOLECULE MODULATORS OF HUMAN STING Curadev Pharma Limited (GB) 2020-04-29 EP disclosed
US-20200109129-A1 NEW 6-MEMBERED HETEROAROMATIC SUBSTITUTED CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS JANSSEN-CILAG (FR) 2020-04-09 US disclosed
WO-2019243823-A1 AZAHETEROCYCLIC SMALL MOLECULE MODULATORS OF HUMAN STING CURADEV PHARMA LIMITED (GB) 2019-12-26 WO disclosed
WO-2018234805-A1 SMALL MOLECULE MODULATORS OF HUMAN STING CURADEV PHARMA LIMITED (GB) 2018-12-27 WO disclosed
EP-3405464-A1 NEW 6-MEMBERED HETEROAROMATIC SUBSTITUTED CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS Janssen Pharmaceutica NV (BE) 2018-11-28 EP disclosed
WO-2017125534-A1 NEW 6-MEMBERED HETEROAROMATIC SUBSTITUTED CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2017-07-27 WO 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 (4 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-20200138827-A1 SMALL MOLECULE MODULATORS OF HUMAN STING STING1, IRF3, CGAS TSHR 4220/4885ALDH1A1 4755/4885MEN1 3114/4885
US-11001569-B2 6-membered heteroaromatic substituted cyanoindoline derivatives as NIK inhibitors NFKBIA, MAP3K14, IKBKG TSHR 4112/4885ALDH1A1 3944/4885MEN1 2516/4885
US-20230365558-A1 TETRAHYDROISOQUINOLINE DERIVATIVE AND USE THEREOF CYP3A7, UGT2B7, SFPQ TSHR 2694/4885ALDH1A1 1495/4885MEN1 995/4885
US-20200109129-A1 NEW 6-MEMBERED HETEROAROMATIC SUBSTITUTED CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS NFKBIA, MAP3K14, IKBKG TSHR 4129/4885ALDH1A1 3971/4885MEN1 2327/4885

“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.