SCHEMBL16118661

SCHEMBL16118661

O=C(Nc1ccccc1)N(C/C=C/c1ccc(F)cc1)CC1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ EGFR P00533 4/20 0.41
▸ MMP1 P03956 1/20 0.41
▸ MMP2 P08253 1/20 0.41
▸ MMP9 P14780 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ KDM1A O60341 2/20 0.39
▸ CCR3 P51677 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ PAX8 Q06710 1/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ CHRM3 P20309 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ TPSAB1 Q15661 1/20 0.37
▸ TPSD1 Q9BZJ3 1/20 0.37

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
SCHEMBL16118654 0.82 KMT2A (0.51) KMT2ALMNASMN1; SMN2CCR3NPC1
SCHEMBL16118659 0.82 KMT2A (0.51) KMT2ALMNASMN1; SMN2CCR3NPC1
SCHEMBL16118656 0.79 KMT2A (0.40) KMT2ALMNAALDH1A1
SCHEMBL13543091 0.74 ATM (0.49) POLBKMT2ARAB9ATPSAB1TPSD1
SCHEMBL4321273 0.68 CHRM1 (0.42) KMT2AKDM1ACHRM1CHRM3MAOB
SCHEMBL4321271 0.68 CHRM1 (0.42) KMT2AKDM1ACHRM1CHRM3MAOB
SCHEMBL12512207 0.68 KDM4E (0.50) NPC1ALDH1A1
SCHEMBL3482988 0.67 EPHX2 (0.55) POLBGAASMN1; SMN2RAB9AALDH1A1
SCHEMBL12511407 0.67 KDM4E (0.46) KMT2AALDH1A1
SCHEMBL12511541 0.67 KDM4E (0.46) KMT2AALDH1A1

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-9796674-B2 Benzyl urea derivatives for activating TGF-beta signaling THE UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS 2017-10-24 — — US disclosed
US-20160039756-A1 BENZYL UREA DERIVATIVES FOR ACTIVATING TGF-BETA SIGNALING The Board of Trustees of the Leladn Stanford Junior University (US) 2016-02-11 — — US disclosed
US-20160039756-A1 BENZYL UREA DERIVATIVES FOR ACTIVATING TGF-BETA SIGNALING The Board of Trustees of the Leladn Stanford Junior University (US) 2016-02-11 — — US disclosed
WO-2014152869-A2 BENZYL UREA DERIVATIVES FOR ACTIVATING TGF-BETA SIGNALING THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2014-09-25 — — WO 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-20160039756-A1 BENZYL UREA DERIVATIVES FOR ACTIVATING TGF-BETA SIGNALING TGFBR1, TGFB1, TGFBR2 POLB 285/4885KMT2A 2008/4885EGFR 831/4885

“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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