SCHEMBL414286

SCHEMBL414286

CN(C(=O)CCCSc1ccc(F)cc1)C1CCOc2ccc(F)cc21

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CCR3 P51677 3/20 0.35
▸ CTNNB1 P35222 1/20 0.35
▸ PDE3B Q13370 1/20 0.35
▸ PDE3A Q14432 1/20 0.35
▸ TRPV1 Q8NER1 4/20 0.35
▸ APOL1 O14791 1/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ KDM6B O15054 3/20 0.33
▸ KDM4C Q9H3R0 3/20 0.33

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
SCHEMBL418476 0.91 ALDH1A1 (0.34) ALDH1A1MAPTCCR3PDE3BPDE3A
SCHEMBL419712 0.76 ALDH1A1 (0.57) ALDH1A1RAB9A
SCHEMBL6559387 0.69 KCNE1 (0.51) TRPV1RAB9A
SCHEMBL16256979 0.69 KCNE1 (0.36) —
SCHEMBL413866 0.68 RIPK1 (0.51) ALDH1A1MAPTRAB9ANPC1
SCHEMBL416370 0.68 NPC1 (0.45) ALDH1A1RAB9ANPC1
SCHEMBL11932515 0.67 RORC (0.34) TRPV1
SCHEMBL19658610 0.67 ADRA2A (0.42) TRPV1KDM6BKDM4C
SCHEMBL417441 0.66 CXCR2 (0.40) ALDH1A1MAPTRAB9ANPC1
SCHEMBL415495 0.65 NPC1 (0.45) RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2012-01-26 — — US claimed
EP-2196453-A1 Novel substituted aryl derivatives, their process of preparation and their therapeutical uses as anti-HIV agents Cellvir (FR) 2010-06-16 — — EP claimed
US-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2012-01-26 — — US disclosed
EP-2196453-A1 Novel substituted aryl derivatives, their process of preparation and their therapeutical uses as anti-HIV agents Cellvir (FR) 2010-06-16 — — EP 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-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS HAVCR2, MAVS, EIF2AK2 ALDH1A1 455/4885MAPT 3216/4885CCR3 451/4885

“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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