SCHEMBL2533033

SCHEMBL2533033

Fc1c(Br)ccc2nc(N3CCNCC3)n3ncnc3c12

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 6/20 0.35
HTT P42858 1/20 0.35
NCF1 P14598 1/20 0.35
ADRB1 P08588 2/20 0.34
HTR3A P46098 1/20 0.34
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
Hydrochloric Acid SCHEMBL2466905 0.99 SOS1 (0.35) SOS1HTTNCF1ADRB1HTR3A
SCHEMBL2465334 0.86 CYP1A2 (0.40) SOS1NCF1ADRB1HTR3ACYP1A2
SCHEMBL12225078 0.86 SOS1 (0.41) SOS1
SCHEMBL2533770 0.86 SOS1 (0.39) SOS1HTR3A
SCHEMBL2461806 0.86 HRH4 (0.45) HTTHTR3ACYP1A2
SCHEMBL2468305 0.82 TSHR (0.33) HTT
SCHEMBL2467717 0.78 MAP4K4 (0.44)
SCHEMBL12224888 0.77 HRH4 (0.38) SOS1HTTNCF1HTR3ACCNC
SCHEMBL2533797 0.77 HRH4 (0.38) SOS1HTTNCF1HTR3ACCNC
SCHEMBL12224900 0.76 NCF1 (0.53) SOS1HTTNCF1ADRB1HTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 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 (1 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-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 SOS1 3564/4885HTT 125/4885NCF1 1279/4885

“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.