SCHEMBL786746

SCHEMBL786746

COc1ccc(C(=O)n2ccnc2-c2ccc(F)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HSD11B1 P28845 1/20 0.45
CNR2 P34972 1/20 0.45
ABL1 P00519 1/20 0.45
BCR P11274 1/20 0.45
KMT2A Q03164 6/20 0.45
SLC6A7 Q99884 1/20 0.44
KLK7 P49862 1/20 0.44
KLK14 Q9P0G3 1/20 0.44
KLK5 Q9Y337 1/20 0.44
AKR1C3 P42330 1/20 0.43
KDM4E B2RXH2 3/20 0.43
RXFP1 Q9HBX9 1/20 0.43
OPRK1 P41145 1/20 0.43
RECQL P46063 1/20 0.43
CCR6 P51684 1/20 0.43
ADCY1 Q08828 1/20 0.43
USP2 O75604 1/20 0.43

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
SCHEMBL725309 0.87 KMT2A (0.53) ALDH1A1LMNASMN1; SMN2CNR2KMT2A
SCHEMBL28452609 0.73 KMT2A (0.52) ALDH1A1LMNACNR2KMT2ASLC6A7
SCHEMBL21605339 0.72 LMNA (0.66) ALDH1A1LMNASMN1; SMN2KMT2AKDM4E
SCHEMBL1813422 0.72 LMNA (0.66) ALDH1A1LMNASMN1; SMN2KMT2AKDM4E
SCHEMBL6630730 0.70 NTRK1 (0.43) ALDH1A1SMN1; SMN2CNR2KMT2ASLC6A7
SCHEMBL5650614 0.70 CLK4 (0.47) ALDH1A1SMN1; SMN2KMT2AKDM4EHSD17B10
SCHEMBL25176183 0.69 ELANE (0.46) PKM
SCHEMBL9125486 0.69 CES2 (0.79) ALDH1A1LMNASMN1; SMN2HSD11B1KMT2A
Hydrochloric Acid SCHEMBL28747737 0.68 CLK4 (0.46) ALDH1A1SMN1; SMN2KMT2AKDM4EHSD17B10
SCHEMBL725082 0.68 THRB (0.53) ALDH1A1KMT2AKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230321045-A1 METHODS OF TREATING INFLUENZA AND POXVIRUS VIRAL INFECTIONS VERU INC. (US) 2023-10-12 US disclosed
US-20230321045-A1 METHODS OF TREATING INFLUENZA AND POXVIRUS VIRAL INFECTIONS VERU INC. (US) 2023-10-12 US disclosed
WO-2023196632-A1 METHODS OF TREATING INFLUENZA AND POXVIRUS VIRAL INFECTIONS VERU INC. (US) 2023-10-12 WO disclosed
US-20230265081-A1 METHODS OF TREATING CORONAVIRUS VERU INC. (US) 2023-08-24 US disclosed
US-20230265081-A1 METHODS OF TREATING CORONAVIRUS VERU INC. (US) 2023-08-24 US disclosed
US-11648236-B2 Methods of treating coronavirus VERU INC. (US) 2023-05-16 US disclosed
US-11648236-B2 Methods of treating coronavirus VERU INC. (US) 2023-05-16 US disclosed
US-20220024912-A1 COMPOUNDS FOR TREATMENT OF CANCER Oncternal Therapeutics, Inc. (US) 2022-01-27 US disclosed
US-20210308105-A1 METHODS OF TREATING CORONAVIRUS VERU INC. (US) 2021-10-07 US disclosed
US-11084811-B2 Compounds for treatment of cancer Oncternal Therapeutics, Inc. (US) 2021-08-10 US disclosed
US-20140213623-A1 COMPOUNDS FOR TREATMENT OF CANCER GTX, INC. (US) 2014-07-31 US disclosed
WO-2012027481-A9 COMPOUNDS FOR TREATMENT OF CANCER GTX, INC. (US) 2013-10-10 WO disclosed
US-20130197049-A1 COMPOUNDS FOR TREATMENT OF CANCER UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2013-08-01 US disclosed
US-20130197049-A1 COMPOUNDS FOR TREATMENT OF CANCER UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2013-08-01 US disclosed
US-20120071524-A1 COMPOUNDS FOR TREATMENT OF CANCER ONCTERNAL THERAPEUTICS, INC 2012-03-22 US disclosed
US-20120071524-A1 COMPOUNDS FOR TREATMENT OF CANCER ONCTERNAL THERAPEUTICS, INC 2012-03-22 US disclosed
WO-2012027481-A1 COMPOUNDS FOR TREATMENT OF CANCER GTX, INC. (US) 2012-03-01 WO disclosed
US-20110257196-A1 COMPOUNDS FOR TREATMENT OF CANCER ONCTERNAL THERAPEUTICS, INC 2011-10-20 US disclosed
US-20110257196-A1 COMPOUNDS FOR TREATMENT OF CANCER ONCTERNAL THERAPEUTICS, INC 2011-10-20 US disclosed
WO-2011109059-A1 COMPOUNDS FOR TREATMENT OF CANCER GTX, INC. (US) 2011-09-09 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 (10 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-20120071524-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 ALDH1A1 209/4885LMNA 3427/4885SMN1; SMN2 3816/4885
US-20130197049-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 ALDH1A1 209/4885LMNA 3427/4885SMN1; SMN2 3816/4885
US-20230321045-A1 METHODS OF TREATING INFLUENZA AND POXVIRUS VIRAL INFECTIONS TUBB3, TUBB1, TUBB ALDH1A1 2765/4885LMNA 588/4885SMN1; SMN2 3405/4885
US-20140213623-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 ALDH1A1 619/4885LMNA 1128/4885SMN1; SMN2 1722/4885
US-11084811-B2 Compounds for treatment of cancer KLK3, BRDT, ACP3 ALDH1A1 209/4885LMNA 3427/4885SMN1; SMN2 3816/4885
US-20220024912-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 ALDH1A1 209/4885LMNA 3427/4885SMN1; SMN2 3816/4885
US-20230265081-A1 METHODS OF TREATING CORONAVIRUS TUBB3, TUBB1, TUBB ALDH1A1 3603/4885LMNA 1035/4885SMN1; SMN2 2823/4885
US-20110257196-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 ALDH1A1 209/4885LMNA 3427/4885SMN1; SMN2 3816/4885
US-11648236-B2 Methods of treating coronavirus TUBB3, TUBB1, TUBB ALDH1A1 3603/4885LMNA 1035/4885SMN1; SMN2 2823/4885
US-20210308105-A1 METHODS OF TREATING CORONAVIRUS TUBB3, TUBB1, TUBB ALDH1A1 3603/4885LMNA 1035/4885SMN1; SMN2 2823/4885

“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.