SCHEMBL3786757

SCHEMBL3786757

Cc1ccc(-c2ccccc2N)c(N)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
TDP1 Q9NUW8 3/20 0.52
CYP3A4 P08684 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
ALOX15 P16050 2/20 0.52
TP53 P04637 1/20 0.52
THRB P10828 1/20 0.52
MAOB P27338 1/20 0.51
GAA P10253 3/20 0.49
KDM4E B2RXH2 2/20 0.49
NPC1 O15118 2/20 0.49
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49
ELANE P08246 1/20 0.48
HSD17B10 Q99714 3/20 0.46
CA1 P00915 1/20 0.45
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SLC6A2 P23975 1/20 0.40

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
SCHEMBL424797 0.93 TDP1 (0.54) ALDH1A1L3MBTL1TDP1CYP3A4SMN1; SMN2
SCHEMBL6365723 0.88 TDP1 (0.65) ALDH1A1L3MBTL1TDP1CYP3A4SMN1; SMN2
SCHEMBL30839750 0.88 TDP1 (0.65) ALDH1A1L3MBTL1TDP1CYP3A4SMN1; SMN2
SCHEMBL30839742 0.88 TDP1 (0.65) ALDH1A1L3MBTL1TDP1CYP3A4SMN1; SMN2
SCHEMBL10711689 0.87 ALDH1A1 (0.52) ALDH1A1L3MBTL1TDP1CYP3A4SMN1; SMN2
SCHEMBL18550677 0.87 ALDH1A1 (0.54) ALDH1A1L3MBTL1TDP1CYP3A4SMN1; SMN2
SCHEMBL3781663 0.86 ALDH1A1 (0.59) ALDH1A1L3MBTL1TDP1CYP3A4SMN1; SMN2
Isopropylbenzene SCHEMBL28515291 0.86 ALDH1A1 (0.43) ALDH1A1L3MBTL1TDP1CYP3A4SMN1; SMN2
Hydrochloric Acid SCHEMBL11683111 0.85 TDP1 (0.62) ALDH1A1L3MBTL1TDP1CYP3A4SMN1; SMN2
SCHEMBL3784862 0.85 CYP3A4 (0.50) ALDH1A1L3MBTL1TDP1CYP3A4SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436031-B2 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. (US) 2013-05-07 US disclosed
US-20110306611-A1 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. (US) 2011-12-15 US disclosed
US-20110230523-A1 TRANSCRIPTION FACTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF PARATEK PHARMACEUTICALS, INC. (US) 2011-09-22 US disclosed
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
US-20090131401-A1 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. (US) 2009-05-21 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 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 (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-20110306611-A1 Transcription factor modulating compounds and methods of use thereof JUN, CREBBP, TFEB ALDH1A1 3948/4885L3MBTL1 573/4885TDP1 2432/4885
US-20090131401-A1 Transcription factor modulating compounds and methods of use thereof JUN, CREBBP, TFEB ALDH1A1 3948/4885L3MBTL1 573/4885TDP1 2432/4885
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 ALDH1A1 4339/4885L3MBTL1 3838/4885TDP1 4196/4885
US-20110230523-A1 TRANSCRIPTION FACTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF JUN, CREBBP, TFEB ALDH1A1 3948/4885L3MBTL1 573/4885TDP1 2432/4885

“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.