SCHEMBL18179877

SCHEMBL18179877

c1ccc(-c2ccc(CNCCCCNCc3ccc(-c4ccccn4)cc3)cc2)nc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.52
CHRM2 P08172 5/20 0.51
HRH4 Q9H3N8 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP19A1 P11511 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 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
SCHEMBL14957567 0.97 CYP1A2 (0.47) MAOACHRM2HRH4HRH3CYP1A2
SCHEMBL16781356 0.93 CXCR4 (0.50) CHRM2CYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL16781357 0.86 CHRM2 (0.47) CHRM2HDAC3HDAC4HDAC1HDAC7
SCHEMBL16812989 0.86 CHRM2 (0.55) MAOACHRM2HDAC3HDAC4HDAC1
SCHEMBL16812994 0.81 HRH4 (0.55) MAOACHRM2HRH4HRH3SIGMAR1
SCHEMBL3722162 0.79 IDO1 (0.50) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL2237883 0.79 ADRB2 (0.51) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL5991973 0.79 ADH1B (0.55) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL20922146 0.77 HDAC3 (0.40) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL12327091 0.77 CCNE1 (0.46) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180071232-A1 COMPOSITIONS AND METHODS FOR TREATING RESPIRATORY INJURY OR DISEASE UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2018-03-15 US disclosed
US-20180071232-A1 COMPOSITIONS AND METHODS FOR TREATING RESPIRATORY INJURY OR DISEASE UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2018-03-15 US disclosed
US-9849098-B2 Compositions and methods for treating respiratory injury or disease University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2017-12-26 US disclosed
US-9849098-B2 Compositions and methods for treating respiratory injury or disease University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2017-12-26 US disclosed
US-20160310447-A1 COMPOSITIONS AND METHODS FOR TREATING RESPIRATORY INJURY OR DISEASE UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2016-10-27 US disclosed
US-20160310447-A1 COMPOSITIONS AND METHODS FOR TREATING RESPIRATORY INJURY OR DISEASE UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2016-10-27 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 (2 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-20180071232-A1 COMPOSITIONS AND METHODS FOR TREATING RESPIRATORY INJURY OR DISEASE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, C9, C1S MAOA 3038/4885CHRM2 647/4885HRH4 1149/4885
US-20160310447-A1 COMPOSITIONS AND METHODS FOR TREATING RESPIRATORY INJURY OR DISEASE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, C1S, C9 MAOA 2699/4885CHRM2 513/4885HRH4 906/4885

“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.