SCHEMBL19706097

SCHEMBL19706097

CCN1CCCC(C(=O)Nc2cncc(F)c2)c2nc(-c3cccc(C(F)(F)F)c3)ccc2S1(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ CYP2D6 P10635 2/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ MAPT P10636 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ UBE2M P61081 3/20 0.36
▸ DCUN1D1 Q96GG9 3/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ TSHR P16473 3/20 0.36
▸ USP2 O75604 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ CHRM3 P20309 1/20 0.35
▸ JAK2 O60674 1/20 0.34

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
SCHEMBL19670383 0.81 MEN1 (0.36) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL19699079 0.79 MEN1 (0.39) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL19365507 0.73 MAPT (0.37) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL16238347 0.72 MEN1 (0.39) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL12242073 0.71 SMN1; SMN2 (0.46) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL16776196 0.70 CA2 (0.37) CYP1A2JAK2TRPV1RAF1
SCHEMBL12242080 0.70 SMN1; SMN2 (0.46) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL19365333 0.69 KDM1A (0.39) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL17624594 0.69 TRPV1 (0.39) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL17618378 0.68 IDH2 (0.40) MEN1KMT2ACYP1A2CYP3A4CYP2D6

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-10590135-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2020-03-17 — — US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — 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-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 MEN1 3676/4885KMT2A 1438/4885CYP1A2 3492/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 MEN1 3676/4885KMT2A 1438/4885CYP1A2 3492/4885

“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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