SCHEMBL17303752

SCHEMBL17303752

CCOc1cc(Br)c(C)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
CYP1A2 P05177 1/20 0.45
LMNA P02545 7/20 0.44
ALDH1A1 P00352 3/20 0.42
FBP1 P09467 1/20 0.42
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GAA P10253 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPK1 P28482 1/20 0.40
RECQL P46063 1/20 0.40
POLB P06746 2/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALOX12 P18054 1/20 0.39

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
SCHEMBL17304219 0.88 MAPT (0.44) MAPTCYP1A2LMNAALDH1A1GAA
SCHEMBL10913465 0.87 MAPT (0.48) MAPTLMNAALDH1A1FBP1TSHR
SCHEMBL31586771 0.83 ALDH1A1 (0.45) MAPTCYP1A2LMNAALDH1A1GAA
SCHEMBL310970 0.81 CYP1A2 (0.49) MAPTCYP1A2LMNAALDH1A1HSD17B10
SCHEMBL28086988 0.81 MAPT (0.49) MAPTLMNAALDH1A1GAAMEN1
SCHEMBL2945240 0.81 MAPT (0.49) MAPTLMNAALDH1A1TSHRGAA
SCHEMBL19030212 0.81 CYP1A2 (0.40) MAPTCYP1A2LMNAALDH1A1KMT2A
SCHEMBL310334 0.81 MAPT (0.46) MAPTCYP1A2LMNAALDH1A1GAA
SCHEMBL17543791 0.79 MAPT (0.45) MAPTLMNAALDH1A1FBP1GAA
SCHEMBL31434942 0.79 MAPT (0.45) MAPTLMNAALDH1A1FBP1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240336643-A1 BIFUNCTIONAL COMPOUNDS THAT DEGRADE ALK AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2024-10-10 US disclosed
CN-113493438-B Tetrahydroisoquinoline compounds 南京再明医药有限公司 2023-10-20 CN disclosed
CN-113493438-A Tetrahydroisoquinoline compounds 江苏先声药业有限公司 2021-10-12 CN disclosed
US-10023593-B2 ALK kinase inhibitor, and preparation method and uses thereof BEIJING PEARL BIOTECHNOLOGY LIMITED LIABILITY COMPANY (CN) 2018-07-17 US disclosed
US-10023593-B2 ALK kinase inhibitor, and preparation method and uses thereof BEIJING PEARL BIOTECHNOLOGY LIMITED LIABILITY COMPANY (CN) 2018-07-17 US disclosed
US-20170247392-A1 ALK KINASE INHIBITOR, AND PREPARATION METHOD AND USES THEREOF SHANGHAI EMERALD WELLCARES PHARMACEUTICAL CO., LTD (CN) 2017-08-31 US disclosed
US-20170247392-A1 ALK KINASE INHIBITOR, AND PREPARATION METHOD AND USES THEREOF SHANGHAI EMERALD WELLCARES PHARMACEUTICAL CO., LTD (CN) 2017-08-31 US disclosed
EP-3150592-A1 ALK KINASE INHIBITOR, AND PREPARATION METHOD AND USE THEREOF Beijing Pearl Biotechnology Limited Liability Company (CN) 2017-04-05 EP disclosed
WO-2015180685-A1 ALK KINASE INHIBITOR, AND PREPARATION METHOD AND USE THEREOF 北京浦润奥生物科技有限责任公司 2015-12-03 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 (3 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-20170247392-A1 ALK KINASE INHIBITOR, AND PREPARATION METHOD AND USES THEREOF ALK, BRAF, ABL1 MAPT 2610/4885CYP1A2 1037/4885LMNA 1070/4885
US-10023593-B2 ALK kinase inhibitor, and preparation method and uses thereof ALK, BRAF, ABL1 MAPT 2610/4885CYP1A2 1037/4885LMNA 1070/4885
US-20240336643-A1 BIFUNCTIONAL COMPOUNDS THAT DEGRADE ALK AND USES THEREOF ALK, JMJD7, ALKBH3 MAPT 3459/4885CYP1A2 334/4885LMNA 2296/4885

“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.