SCHEMBL4531672

SCHEMBL4531672

NC1=C(S)CCc2cc(N3CCCC3)c(F)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.36
▸ GAA P10253 3/20 0.36
▸ HTT P42858 1/20 0.36
▸ TSHR P16473 1/20 0.35
▸ MAPT P10636 7/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP2D6 P10635 2/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ PKM P14618 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ IP6K1 Q92551 1/20 0.33
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ FGB P02675 1/20 0.32
▸ CASP1 P29466 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
SCHEMBL15075991 0.79 — —
SCHEMBL1854671 0.75 ALDH1A1 (0.43) ALDH1A1TSHRMAPTSMN1; SMN2CYP1A2
SCHEMBL8059865 0.68 ALDH1A1 (0.52) ALDH1A1GAAHTTTSHRMAPT
SCHEMBL8074290 0.67 ALDH1A1 (0.55) ALDH1A1GAAHTTTSHRMAPT
SCHEMBL8068958 0.67 ALDH1A1 (0.55) ALDH1A1GAAHTTTSHRMAPT
SCHEMBL31123621 0.66 ALDH1A1 (0.47) ALDH1A1TSHRMAPTLMNAMAPK1
SCHEMBL9831479 0.65 ALDH1A1 (0.50) ALDH1A1GAAHTTTSHRMAPT
SCHEMBL238269 0.65 ALDH1A1 (0.53) ALDH1A1GAAHTTTSHRMAPT
SCHEMBL29728648 0.65 ALDH1A1 (0.53) ALDH1A1GAAHTTTSHRMAPT
SCHEMBL18833416 0.64 ALDH1A1 (0.49) ALDH1A1GAAHTTTSHRMAPT

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-20130165427-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES HYDRA BIOSCIENCES, INC. (US) 2013-06-27 — — US disclosed
US-20130059869-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS HYDRA BIOSCIENCES, INC. 2013-03-07 — — US disclosed
US-20120108614-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES HYDRA BIOSCIENCES, INC. 2012-05-03 — — 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 (3 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-20120108614-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 ALDH1A1 1104/4885GAA 1962/4885HTT 4377/4885
US-20130165427-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 ALDH1A1 1104/4885GAA 1962/4885HTT 4377/4885
US-20130059869-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 ALDH1A1 968/4885GAA 640/4885HTT 160/4885

“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.

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