SCHEMBL2705403

SCHEMBL2705403

COC(=O)C1(C)NCCc2c1[nH]c1ccc(Br)cc21

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CFTR P13569 3/20 0.42
BAZ2B Q9UIF8 2/20 0.42
MAPT P10636 3/20 0.40
POLB P06746 1/20 0.40
SIRT1 Q96EB6 2/20 0.39
NR4A2 P43354 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
CDK1 P06493 3/20 0.38
CCNB2 O95067 2/20 0.38
CCNB1 P14635 2/20 0.38
GSK3B P49841 2/20 0.38
CCNB3 Q8WWL7 2/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
MAPKAPK2 P49137 1/20 0.38
OPRM1 P35372 1/20 0.38
OGFRL1 Q5TC84 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
SCHEMBL9685278 0.91 KMT2A (0.40) CFTRNR4A2CDK1CCNB2CCNB1
Hydrochloric Acid SCHEMBL10701881 0.90 KMT2A (0.39) CFTRNR4A2LMNACDK1CCNB2
SCHEMBL2706382 0.87 MAPKAPK2 (0.44) SIRT1MAPKAPK2OPRM1OGFRL1
SCHEMBL2780429 0.86 MAPKAPK2 (0.45) CFTRBAZ2BMAPTSIRT1LMNA
SCHEMBL2706845 0.86 MAPKAPK2 (0.52) CFTRMAPTALDH1A1LMNAMAPKAPK2
SCHEMBL10465435 0.84 KMT2A (0.43) CFTRALDH1A1LMNAMAPK1GSK3B
SCHEMBL6238822 0.83 KMT2A (0.51) MAPTALDH1A1LMNAOPRM1OGFRL1
SCHEMBL11458021 0.79 KMT2A (0.54) CFTRMAPTPOLBALDH1A1LMNA
SCHEMBL9687547 0.79 KMT2A (0.45) CFTRMAPTMAPK1GSK3BCDK5
SCHEMBL2708913 0.78 MAPKAPK2 (0.55) CFTRMAPTALDH1A1LMNAMAPKAPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0891187-B1 USE OF DERIVATIVES OF TETRAHYDRO-BETA-CARBOLINES AS ANTIMETASTATIC AGENTS HOFFMANN LA ROCHE (CH) 2002-01-30 EP claimed
US-6069150-A METALLOPROTRINASE INHIBITOR F. HOFFMAN-LA ROCHE AG (CH) 2000-05-30 US claimed
US-20240043422-A1 METHODS FOR TREATING CANCER AND NON-NEOPLASTIC CONDITIONS PTC THERAPEUTICS, INC. (US) 2024-02-08 US disclosed
US-11613538-B2 Method of inhibiting or reducing a viral infection PTC THERAPEUTICS, INC. (US) 2023-03-28 US disclosed
EP-2434891-B9 METHODS FOR TREATING CANCER AND NON-NEOPLASTIC CONDITIONS PTC THERAPEUTICS INC (US) 2021-05-05 EP disclosed
US-20200317668-A1 METHOD OF INHIBITING OR REDUCING A CORONAVIRIDAE VIRUS INFECTION PTC THERAPEUTICS, INC. 2020-10-08 US disclosed
EP-3718405-A1 METHODS FOR TREATING CANCER AND NON-NEOPLASTIC CONDITIONS PTC Therapeutics, Inc. (US) 2020-10-07 EP disclosed
EP-2434891-B1 METHODS FOR TREATING CANCER AND NON-NEOPLASTIC CONDITIONS PTC THERAPEUTICS INC (US) 2020-07-22 EP disclosed
US-20190194188-A1 METHODS FOR TREATING CANCER AND NON-NEOPLASTIC CONDITIONS PTC THERAPEUTICS, INC. 2019-06-27 US disclosed
US-20160340354-A1 METHODS FOR TREATING CANCER AND NON-NEOPLASTIC CONDITIONS PTC THERAPEUTICS, INC. 2016-11-24 US disclosed
US-9351964-B2 Methods for treating cancer and non-neoplastic conditions PTC THERAPEUTICS, INC. (US) 2016-05-31 US disclosed
WO-2011150162-A1 METHODS FOR TREATING VIRAL CONDITIONS PTC THERAPEUTICS, INC. (US) 2011-12-01 WO disclosed
WO-2010138695-A1 METHODS FOR TREATING NEUROFIBROMATOSIS PTC THERAPEUTICS, INC. (US) 2010-12-02 WO disclosed
WO-2010138659-A1 METHODS FOR TREATING BRAIN TUMORS PTC THERAPEUTICS, INC. (US) 2010-12-02 WO disclosed
WO-2010138706-A1 METHODS FOR TREATING BREAST CANCER PTC THERAPEUTICS, INC. (US) 2010-12-02 WO disclosed
WO-2010138685-A1 METHODS FOR TREATING PROSTATE CONDITIONS PTC THERAPEUTICS, INC. (US) 2010-12-02 WO disclosed
WO-2010138758-A1 METHODS FOR TREATING CANCER AND NON-NEOPLASTIC CONDITIONS PTC THERAPEUTICS, INC. (US) 2010-12-02 WO disclosed
WO-2010138652-A1 METHODS FOR TREATING KAPOSI SARCOMA PTC THERAPEUTICS, INC. (US) 2010-12-02 WO disclosed
EP-0891187-B1 USE OF DERIVATIVES OF TETRAHYDRO-BETA-CARBOLINES AS ANTIMETASTATIC AGENTS HOFFMANN LA ROCHE (CH) 2002-01-30 EP disclosed
US-6069150-A METALLOPROTRINASE INHIBITOR F. HOFFMAN-LA ROCHE AG (CH) 2000-05-30 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 (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-20240043422-A1 METHODS FOR TREATING CANCER AND NON-NEOPLASTIC CONDITIONS HDGF, POLRMT, VEGFA CFTR 4296/4885BAZ2B 1885/4885MAPT 3300/4885
US-20160340354-A1 METHODS FOR TREATING CANCER AND NON-NEOPLASTIC CONDITIONS HDGF, POLRMT, VEGFA CFTR 4302/4885BAZ2B 1903/4885MAPT 3328/4885
US-20190194188-A1 METHODS FOR TREATING CANCER AND NON-NEOPLASTIC CONDITIONS HDGF, POLRMT, VEGFA CFTR 4302/4885BAZ2B 1903/4885MAPT 3328/4885
US-20200317668-A1 METHOD OF INHIBITING OR REDUCING A CORONAVIRIDAE VIRUS INFECTION SARS1, POLRMT, EIF2AK2 CFTR 4309/4885BAZ2B 856/4885MAPT 2964/4885
US-11613538-B2 Method of inhibiting or reducing a viral infection SARS1, EIF2AK2, POLRMT CFTR 4007/4885BAZ2B 606/4885MAPT 2901/4885

“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.