SCHEMBL786676

SCHEMBL786676

COc1cc(C(=O)c2ccnc(-c3cc4ccccc4[nH]3)c2)cc(CO)c1CO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
ESR1 P03372 1/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
TUBB4A P04350 5/20 0.39
TUBB P07437 5/20 0.39
TUBA3C P0DPH7 5/20 0.39
TUBA1B P68363 5/20 0.39
TUBA4A P68366 5/20 0.39
TUBB4B P68371 5/20 0.39
TUBB3 Q13509 5/20 0.39
TUBB2A Q13885 5/20 0.39
TUBB8 Q3ZCM7 5/20 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
SCHEMBL805039 0.85 PDGFRB (0.51) NPSR1SMN1; SMN2TP53TUBB4ATUBB
SCHEMBL25478448 0.80 NPSR1 (0.41) NPSR1SMN1; SMN2TP53ESR1KDM4E
SCHEMBL25478962 0.79 ESR1 (0.41) NPSR1SMN1; SMN2TP53ESR1KDM4E
SCHEMBL25478450 0.77 EGFR (0.42) NPSR1SMN1; SMN2TP53KDM4EALDH1A1
SCHEMBL12130393 0.74 PDGFRB (0.43) SMN1; SMN2ALDH1A1MEN1MAPTRAB9A
SCHEMBL12130390 0.72 PDE4D (0.52) SMN1; SMN2KDM4EALDH1A1MEN1MAPT
SCHEMBL12130436 0.71 CYP3A4 (0.43) SMN1; SMN2TP53ALDH1A1MEN1MAPT
SCHEMBL786569 0.71 TUBB4A (0.55) MEN1RAB9AKMT2ATUBB4ATUBB
SCHEMBL12130376 0.70 ALDH1A1 (0.45) NPSR1SMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL424789 0.69 SMO (0.63) NPSR1SMN1; SMN2TP53TUBB4ATUBB

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 8 patents. 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-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-20170226086-A1 COMPOUNDS FOR TREATMENT OF CANCER GTx. Inc. (US) 2017-08-10 US disclosed
US-9447049-B2 Compounds for treatment of cancer UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2016-09-20 US disclosed
US-8822513-B2 Compounds for treatment of cancer GTX, INC. (US) 2014-09-02 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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 NPSR1 3755/4885SMN1; SMN2 3816/4885TP53 4/4885
US-20130197049-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 NPSR1 3755/4885SMN1; SMN2 3816/4885TP53 4/4885
US-20230321045-A1 METHODS OF TREATING INFLUENZA AND POXVIRUS VIRAL INFECTIONS TUBB3, TUBB1, TUBB NPSR1 3390/4885SMN1; SMN2 3405/4885TP53 692/4885
US-20230265081-A1 METHODS OF TREATING CORONAVIRUS TUBB3, TUBB1, TUBB NPSR1 3717/4885SMN1; SMN2 2823/4885TP53 1287/4885
US-20170226086-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 NPSR1 3755/4885SMN1; SMN2 3816/4885TP53 4/4885
US-11648236-B2 Methods of treating coronavirus TUBB3, TUBB1, TUBB NPSR1 3717/4885SMN1; SMN2 2823/4885TP53 1287/4885

“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.