SCHEMBL19254907

SCHEMBL19254907

O=C(Cc1ccc(C(F)(F)F)cc1)NC1CCCC1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.65
RAB9A P51151 1/20 0.65
SIGMAR1 Q99720 3/20 0.64
POLB P06746 2/20 0.63
EPHX2 P34913 2/20 0.62
MEN1 O00255 2/20 0.61
ALDH1A1 P00352 2/20 0.61
KMT2A Q03164 2/20 0.61
TDP1 Q9NUW8 1/20 0.58
LMNA P02545 2/20 0.56
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
GRIA2 P42262 1/20 0.55
HDAC1 Q13547 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
SMYD3 Q9H7B4 1/20 0.53

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
SCHEMBL7876920 0.84 POLB (0.67) NPC1RAB9ASIGMAR1POLBEPHX2
SCHEMBL9849508 0.81 SMYD3 (0.75) NPC1RAB9ASIGMAR1POLBEPHX2
SCHEMBL21624677 0.81 SIGMAR1 (0.55) NPC1RAB9ASIGMAR1LMNACYP3A4
SCHEMBL21624674 0.81 SIGMAR1 (0.55) NPC1RAB9ASIGMAR1LMNACYP3A4
SCHEMBL19255256 0.80 KMT2A (0.64) MEN1ALDH1A1KMT2ALMNA
SCHEMBL9849509 0.80 SMYD3 (0.77) SIGMAR1POLBEPHX2MEN1KMT2A
SCHEMBL9325905 0.79 NPC1 (1.00) NPC1RAB9ASIGMAR1POLBEPHX2
SCHEMBL5053663 0.79 RAB9A (0.71) NPC1RAB9APOLBEPHX2MEN1
SCHEMBL7652620 0.79 NPC1 (0.68) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL19254905 0.79 SMN1; SMN2 (0.72) NPC1RAB9ASIGMAR1POLBEPHX2

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-11247976-B2 Synthetic ligands that modulate the activity of the RhlR quorum sensing receptor WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2022-02-15 US disclosed
US-10322112-B2 Compound combinations for attenuation of bacterial virulence WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2019-06-18 US disclosed
US-20190144407-A1 Synthetic Ligands that Modulate the Activity of the RhlR Quorum Sensing Receptor NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-05-16 US disclosed
US-20170231962-A1 Compound Combinations for Attenuation of Bacterial Virulence NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-08-17 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 (4 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-20170231962-A1 Compound Combinations for Attenuation of Bacterial Virulence PNISR, PGLS, QRFPR NPC1 4739/4885RAB9A 127/4885SIGMAR1 664/4885
US-20190144407-A1 Synthetic Ligands that Modulate the Activity of the RhlR Quorum Sensing Receptor AREG, QRFPR, GPR139 NPC1 4867/4885RAB9A 2846/4885SIGMAR1 353/4885
US-10322112-B2 Compound combinations for attenuation of bacterial virulence PNISR, BLVRB, PGLS NPC1 4653/4885RAB9A 286/4885SIGMAR1 225/4885
US-11247976-B2 Synthetic ligands that modulate the activity of the RhlR quorum sensing receptor AREG, QRFPR, GPR139 NPC1 4867/4885RAB9A 2846/4885SIGMAR1 353/4885

“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.