SCHEMBL9961995

SCHEMBL9961995

COc1ccc(OC(=O)N2CCc3c([nH]c4ccc(Cl)cc34)C2c2ccc(OCCCO)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TP53 P04637 7/20 0.55
MAPT P10636 4/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
ABCG2 Q9UNQ0 7/20 0.51
ABCB1 P08183 5/20 0.51
KIF11 P52732 3/20 0.49
LMNA P02545 3/20 0.47
SIRT1 Q96EB6 1/20 0.47

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
SCHEMBL9962097 0.95 KIF11 (0.49) TP53MAPTSMN1; SMN2ABCG2KIF11
SCHEMBL9962023 0.95 KIF11 (0.49) TP53MAPTSMN1; SMN2ABCG2KIF11
SCHEMBL764575 0.94 TP53 (0.56) TP53MAPTSMN1; SMN2ABCG2ABCB1
SCHEMBL10085992 0.93 TP53 (0.54) TP53MAPTSMN1; SMN2ABCG2ABCB1
SCHEMBL8403122 0.93 TP53 (0.56) TP53MAPTSMN1; SMN2ABCG2ABCB1
SCHEMBL9961992 0.93 ABCG2 (0.51) TP53MAPTSMN1; SMN2ABCG2ABCB1
SCHEMBL13050120 0.93 SIRT1 (0.49) TP53MAPTSMN1; SMN2ABCG2KIF11
SCHEMBL9962022 0.92 TP53 (0.56) TP53MAPTSMN1; SMN2ABCG2ABCB1
SCHEMBL8403139 0.91 TP53 (0.53) TP53MAPTSMN1; SMN2ABCG2ABCB1
SCHEMBL8403669 0.91 TP53 (0.54) TP53MAPTSMN1; SMN2ABCG2ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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
US-9351964-B2 Methods for treating cancer and non-neoplastic conditions PTC THERAPEUTICS, INC. (US) 2016-05-31 US disclosed
US-8703726-B2 Methods for treating prostate conditions PTC THERAPEUTICS, INC. (US) 2014-04-22 US disclosed
US-20120178707-A1 METHODS FOR TREATING PROSTRATE CONDITIONS PTC THERAPEUTICS, INC. 2012-07-12 US disclosed
US-20120157400-A1 METHODS FOR TREATING KAPOSI SARCOMA PTC THERAPEUTICS, INC. 2012-06-21 US disclosed
US-20120157402-A1 METHODS FOR TREATING BRAIN TUMORS PTC THERAPEUTICS, INC. 2012-06-21 US disclosed
US-20120157402-A1 METHODS FOR TREATING BRAIN TUMORS PTC THERAPEUTICS, INC. 2012-06-21 US disclosed
US-20120157401-A1 METHODS FOR TREATING NEUROFIBROMATOSIS PTC THERAPEUTICS, INC. 2012-06-21 US disclosed
US-20120157401-A1 METHODS FOR TREATING NEUROFIBROMATOSIS PTC THERAPEUTICS, INC. 2012-06-21 US disclosed
US-20120157400-A1 METHODS FOR TREATING KAPOSI SARCOMA PTC THERAPEUTICS, INC. 2012-06-21 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-2010138706-A1 METHODS FOR TREATING BREAST CANCER PTC THERAPEUTICS, INC. (US) 2010-12-02 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 (8 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-20120157402-A1 METHODS FOR TREATING BRAIN TUMORS HDGF, VEGFA, FLT4 TP53 61/4885MAPT 1046/4885SMN1; SMN2 2143/4885
US-20160340354-A1 METHODS FOR TREATING CANCER AND NON-NEOPLASTIC CONDITIONS HDGF, POLRMT, VEGFA TP53 16/4885MAPT 3328/4885SMN1; SMN2 3473/4885
US-20190194188-A1 METHODS FOR TREATING CANCER AND NON-NEOPLASTIC CONDITIONS HDGF, POLRMT, VEGFA TP53 16/4885MAPT 3328/4885SMN1; SMN2 3473/4885
US-20200317668-A1 METHOD OF INHIBITING OR REDUCING A CORONAVIRIDAE VIRUS INFECTION SARS1, POLRMT, EIF2AK2 TP53 1818/4885MAPT 2964/4885SMN1; SMN2 4373/4885
US-20120157401-A1 METHODS FOR TREATING NEUROFIBROMATOSIS VHL, NGF, VEGFA TP53 99/4885MAPT 3613/4885SMN1; SMN2 512/4885
US-11613538-B2 Method of inhibiting or reducing a viral infection SARS1, EIF2AK2, POLRMT TP53 1710/4885MAPT 2901/4885SMN1; SMN2 4142/4885
US-20120157400-A1 METHODS FOR TREATING KAPOSI SARCOMA HDGF, HIF1AN, VEGFA TP53 17/4885MAPT 3684/4885SMN1; SMN2 2479/4885
US-20120178707-A1 METHODS FOR TREATING PROSTRATE CONDITIONS ACP3, BPHL, PTGFR TP53 380/4885MAPT 1384/4885SMN1; SMN2 4698/4885

“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.