SCHEMBL16202809

SCHEMBL16202809

N=c1c2c(-c3ccccc3)c(-c3ccccc3)n(Cc3ccccc3)c2ncn1CCO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 12/20 1.00
LMNA P02545 9/20 1.00
MEN1 O00255 9/20 1.00
KMT2A Q03164 9/20 1.00
HTT P42858 8/20 1.00
SMN1; SMN2 Q16637 7/20 1.00
KDM4E B2RXH2 3/20 1.00
GAA P10253 2/20 1.00
ALDH1A1 P00352 5/20 0.88
PTBP1 P26599 2/20 0.88
NPC1 O15118 1/20 0.88
ATM Q13315 1/20 0.68
L3MBTL1 Q9Y468 1/20 0.66
MAPT P10636 4/20 0.64
ADRA2C P18825 1/20 0.61
ADRA1D P25100 1/20 0.61
HRH1 P35367 1/20 0.61
SLC6A3 Q01959 1/20 0.61
TMEM97 Q5BJF2 1/20 0.61
TSHR P16473 3/20 0.59

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
SCHEMBL15037958 0.93 NPSR1 (1.00) NPSR1LMNAMEN1KMT2AHTT
SCHEMBL16202881 0.92 NPSR1 (0.94) NPSR1LMNAMEN1KMT2AHTT
SCHEMBL15037999 0.91 NPSR1 (0.92) NPSR1LMNAMEN1KMT2AHTT
SCHEMBL16202856 0.90 NPSR1 (0.81) NPSR1LMNAMEN1KMT2AHTT
SCHEMBL16202832 0.90 NPSR1 (0.81) NPSR1LMNAMEN1KMT2AHTT
SCHEMBL15037998 0.90 NPSR1 (0.82) NPSR1LMNAMEN1KMT2AHTT
SCHEMBL16202886 0.89 NPSR1 (0.80) NPSR1LMNAMEN1KMT2AHTT
SCHEMBL16202882 0.89 NPSR1 (0.80) NPSR1LMNAMEN1KMT2AHTT
SCHEMBL15037921 0.86 NPSR1 (0.75) NPSR1LMNAMEN1KMT2AHTT
SCHEMBL15037900 0.86 NPSR1 (0.75) NPSR1LMNAMEN1KMT2AHTT

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11241436-B2 Autophagy inducers for treatment of CNS conditions NORTHWESTERN UNIVERSITY (US) 2022-02-08 US disclosed
EP-2791142-B1 COMPOUNDS AND METHODS FOR THE PREVENTION AND TREATMENT OF TUMOR METASTASIS AND TUMORIGENESIS US HEALTH (US) 2019-07-03 EP disclosed
US-10301314-B2 Compounds and methods for the prevention and treatment of tumor metastasis and tumorigenesis THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2019-05-28 US disclosed
US-9877966-B1 Combination therapy for the inhibition of metastasis and tumorigenesis OLIVA EUGENE J (US) 2018-01-30 US disclosed
US-9877966-B1 Combination therapy for the inhibition of metastasis and tumorigenesis OLIVA EUGENE J (US) 2018-01-30 US disclosed
US-20170260192-A1 COMPOUNDS AND METHODS FOR THE PREVENTION AND TREATMENT OF TUMOR METASTASIS AND TUMORIGENESIS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPT OF HEALTH AND HUMAN SERVICES (US) 2017-09-14 US disclosed
US-20170260192-A1 COMPOUNDS AND METHODS FOR THE PREVENTION AND TREATMENT OF TUMOR METASTASIS AND TUMORIGENESIS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPT OF HEALTH AND HUMAN SERVICES (US) 2017-09-14 US disclosed
US-9663521-B2 Compounds and methods for the prevention and treatment of tumor metastasis and tumorigenesis THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2017-05-30 US disclosed
US-9663521-B2 Compounds and methods for the prevention and treatment of tumor metastasis and tumorigenesis THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2017-05-30 US disclosed
US-20140323438-A1 COMPOUNDS AND METHODS FOR THE PREVENTION AND TREATMENT OF TUMOR METASTASIS AND TUMORIGENESIS NORTHWESTERN UNIVERSITY 2014-10-30 US disclosed
US-20140323438-A1 COMPOUNDS AND METHODS FOR THE PREVENTION AND TREATMENT OF TUMOR METASTASIS AND TUMORIGENESIS NORTHWESTERN UNIVERSITY 2014-10-30 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 (4 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-20140323438-A1 COMPOUNDS AND METHODS FOR THE PREVENTION AND TREATMENT OF TUMOR METASTASIS AND TUMORIGENESIS PGF, BRCA1, RB1 NPSR1 907/4885LMNA 424/4885MEN1 756/4885
US-20170260192-A1 COMPOUNDS AND METHODS FOR THE PREVENTION AND TREATMENT OF TUMOR METASTASIS AND TUMORIGENESIS PGF, BRCA1, RB1 NPSR1 907/4885LMNA 424/4885MEN1 756/4885
US-10301314-B2 Compounds and methods for the prevention and treatment of tumor metastasis and tumorigenesis PGF, BRCA1, RB1 NPSR1 907/4885LMNA 424/4885MEN1 756/4885
US-11241436-B2 Autophagy inducers for treatment of CNS conditions SQSTM1, ATG7, BECN1 NPSR1 1165/4885LMNA 2642/4885MEN1 3544/4885

“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.