SCHEMBL85739

SCHEMBL85739

CC(C)(C)C(C)(C)c1ccncc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.46
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
CYP19A1 P11511 3/20 0.38
USP2 O75604 1/20 0.38
RAB9A P51151 1/20 0.38
CHRM5 P08912 1/20 0.36
CHKA P35790 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HDAC8 Q9BY41 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP2D6 P10635 1/20 0.35
CHRM1 P11229 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
KCNA1 Q09470 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPKAPK2 P49137 1/20 0.33
CTSD P07339 1/20 0.33

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
SCHEMBL27526789 0.79 KIF11 (0.52) KIF11LMNAMAPTCYP19A1USP2
SCHEMBL820736 0.77 KIF11 (0.71) KIF11LMNAMAPTCYP19A1USP2
SCHEMBL6428302 0.77 KIF11 (0.50) KIF11LMNAMAPTCYP19A1USP2
SCHEMBL65312 0.77 KIF11 (0.71) KIF11LMNAMAPTCYP19A1USP2
Water SCHEMBL9183302 0.76 TSHR (0.38) KIF11LMNAMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL15140525 0.74 KIF11 (0.68) KIF11LMNAMAPTCYP19A1USP2
Lithium SCHEMBL29576172 0.74 KIF11 (0.68) KIF11LMNAMAPTCYP19A1USP2
SCHEMBL28443995 0.74 KIF11 (0.68) KIF11LMNAMAPTCYP19A1USP2
SCHEMBL20137330 0.74 KIF11 (0.68) KIF11LMNAMAPTCYP19A1USP2
SCHEMBL29245411 0.74 KIF11 (0.68) KIF11LMNAMAPTCYP19A1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11780844-B2 Compounds and methods for treatment of viral infections GILEAD SCIENCES, INC. (US) 2023-10-10 US disclosed
US-11780844-B2 Compounds and methods for treatment of viral infections GILEAD SCIENCES, INC. (US) 2023-10-10 US disclosed
US-20230295172-A1 COMPOUNDS AND METHODS FOR TREATMENT OF VIRAL INFECTIONS GILEAD SCIENCES, INC. 2023-09-21 US disclosed
US-20230295172-A1 COMPOUNDS AND METHODS FOR TREATMENT OF VIRAL INFECTIONS GILEAD SCIENCES, INC. 2023-09-21 US disclosed
US-20230279014-A1 COMPOUNDS AND METHODS FOR TREATMENT OF VIRAL INFECTIONS GILEAD SCIENCES, INC. 2023-09-07 US disclosed
US-20230279014-A1 COMPOUNDS AND METHODS FOR TREATMENT OF VIRAL INFECTIONS GILEAD SCIENCES, INC. 2023-09-07 US disclosed
US-20230279015-A1 COMPOUNDS AND METHODS FOR TREATMENT OF VIRAL INFECTIONS GILEAD SCIENCES, INC. 2023-09-07 US disclosed
US-20230279013-A1 COMPOUNDS AND METHODS FOR TREATMENT OF VIRAL INFECTIONS GILEAD SCIENCES, INC. 2023-09-07 US disclosed
US-20230279015-A1 COMPOUNDS AND METHODS FOR TREATMENT OF VIRAL INFECTIONS GILEAD SCIENCES, INC. 2023-09-07 US disclosed
US-20230279013-A1 COMPOUNDS AND METHODS FOR TREATMENT OF VIRAL INFECTIONS GILEAD SCIENCES, INC. 2023-09-07 US disclosed
US-20230241012-A1 HEPATITIS B ANTIVIRAL AGENTS ENANTA PHARM INC (US) 2023-08-03 US disclosed
US-20210283077-A1 HEPATITIS B ANTIVIRAL AGENTS ENANTA PHARM INC (US) 2021-09-16 US disclosed
US-20190084994-A1 HEPATITIS B ANTIVIRAL AGENTS ENANTA PHARM INC (US) 2019-03-21 US disclosed
US-10179792-B2 Hepatitis B antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2019-01-15 US disclosed
US-20170253609-A1 HEPATITIS B ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2017-09-07 US disclosed
US-20170253609-A1 HEPATITIS B ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2017-09-07 US disclosed
US-8129389-B2 Substituted oxindole derivatives, medicaments containing the latter and use thereof ABBOTT GMBH & CO. KG (DE) 2012-03-06 US disclosed
US-8129389-B2 Substituted oxindole derivatives, medicaments containing the latter and use thereof ABBOTT GMBH & CO. KG (DE) 2012-03-06 US disclosed
US-20090186904-A1 Substituted Oxindole Derivatives, Medicaments Containing the Latter and Use Thereof ABBOTT GMBH & CO. KG 2009-07-23 US disclosed
US-20090186904-A1 Substituted Oxindole Derivatives, Medicaments Containing the Latter and Use Thereof ABBOTT GMBH & CO. KG 2009-07-23 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 (11 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-11780844-B2 Compounds and methods for treatment of viral infections HAVCR2, EIF2AK2, OAT KIF11 3180/4885LMNA 1800/4885MAPT 2309/4885
US-10179792-B2 Hepatitis B antiviral agents HAVCR2, PYGL, SLC10A1 KIF11 4315/4885LMNA 453/4885MAPT 4660/4885
US-20190084994-A1 HEPATITIS B ANTIVIRAL AGENTS HAVCR2, PYGL, SLC10A1 KIF11 4315/4885LMNA 453/4885MAPT 4660/4885
US-20230279015-A1 COMPOUNDS AND METHODS FOR TREATMENT OF VIRAL INFECTIONS HAVCR2, EIF2AK2, OAT KIF11 3180/4885LMNA 1800/4885MAPT 2309/4885
US-20230279014-A1 COMPOUNDS AND METHODS FOR TREATMENT OF VIRAL INFECTIONS HAVCR2, EIF2AK2, OAT KIF11 3180/4885LMNA 1800/4885MAPT 2309/4885
US-20230241012-A1 HEPATITIS B ANTIVIRAL AGENTS HAVCR2, PYGL, SLC10A1 KIF11 4315/4885LMNA 453/4885MAPT 4660/4885
US-20090186904-A1 Substituted Oxindole Derivatives, Medicaments Containing the Latter and Use Thereof OXTR, AVPR2, AVPR1B KIF11 3328/4885LMNA 3508/4885MAPT 2892/4885
US-20210283077-A1 HEPATITIS B ANTIVIRAL AGENTS HAVCR2, PYGL, SLC10A1 KIF11 4315/4885LMNA 453/4885MAPT 4660/4885
US-20230279013-A1 COMPOUNDS AND METHODS FOR TREATMENT OF VIRAL INFECTIONS HAVCR2, EIF2AK2, OAT KIF11 3180/4885LMNA 1800/4885MAPT 2309/4885
US-20170253609-A1 HEPATITIS B ANTIVIRAL AGENTS HAVCR2, PYGL, SLC10A1 KIF11 4315/4885LMNA 453/4885MAPT 4660/4885
US-20230295172-A1 COMPOUNDS AND METHODS FOR TREATMENT OF VIRAL INFECTIONS HAVCR2, EIF2AK2, OAT KIF11 3180/4885LMNA 1800/4885MAPT 2309/4885

“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.