SCHEMBL4189609

SCHEMBL4189609

NCC(N)(C1CCCCCCC1)C1CCCCCCC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.36
EPHX1 P07099 1/20 0.35
TP53 P04637 1/20 0.32
KDM4E B2RXH2 1/20 0.31
GMNN O75496 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL1900863 1.00 SIGMAR1 (0.36) SIGMAR1EPHX1TP53KDM4EGMNN
SCHEMBL17337998 0.97 SIGMAR1 (0.34) SIGMAR1EPHX1TP53KDM4EGMNN
Hydrochloric Acid SCHEMBL7752335 0.97 SIGMAR1 (0.34) SIGMAR1EPHX1TP53KDM4EGMNN
SCHEMBL28859139 0.97 SIGMAR1 (0.32) SIGMAR1EPHX1
Hydrochloric Acid SCHEMBL5405721 0.94 SIGMAR1 (0.31) SIGMAR1KDM4EGMNNLMNAMAPT
SCHEMBL75236 0.85
SCHEMBL9580774 0.79 SIGMAR1 (0.38) SIGMAR1EPHX1TP53LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL10714381 0.77 SIGMAR1 (0.37) SIGMAR1EPHX1KDM4EGMNNLMNA
SCHEMBL2067553 0.76 CYP1A2 (0.37) SIGMAR1LMNASMN1; SMN2
SCHEMBL20854885 0.76 LMNA (0.32) SIGMAR1TP53KDM4EGMNNLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8202910-B2 Compositions and methods for treatment of infectious disease SEQUELLA, INC. (US) 2012-06-19 US disclosed
US-20090192173-A1 ANTI-TUBERCULAR DRUGS: COMPOSITIONS AND METHODS SEQUELLA, INC. 2009-07-30 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 (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-20090192173-A1 ANTI-TUBERCULAR DRUGS: COMPOSITIONS AND METHODS RIF1, TERT, ELL SIGMAR1 3044/4885EPHX1 222/4885TP53 1489/4885

“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.