SCHEMBL3598004

SCHEMBL3598004

COC(=O)NCc1ccc([O])cc1

nearest known ligand 0.84

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.61
SMN1; SMN2 Q16637 3/20 0.53
ALDH1A1 P00352 3/20 0.47
NPC1 O15118 3/20 0.43
KMT2A Q03164 2/20 0.43
RAB9A P51151 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
PKM P14618 1/20 0.43
MEN1 O00255 1/20 0.42
HPGD P15428 1/20 0.41
TPSAB1 Q15661 1/20 0.41
FAAH O00519 1/20 0.41

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
SCHEMBL7252186 0.92 TSHR (0.69) TSHRSMN1; SMN2ALDH1A1NPC1KMT2A
SCHEMBL3598006 0.84 TSHR (0.61) TSHRSMN1; SMN2ALDH1A1
SCHEMBL10117993 0.84 TSHR (0.61) TSHRSMN1; SMN2ALDH1A1NPC1KMT2A
SCHEMBL19321442 0.82 TSHR (0.59) TSHRSMN1; SMN2ALDH1A1KMT2ARAB9A
Hydrochloric Acid SCHEMBL29094269 0.82 TSHR (0.59) TSHRSMN1; SMN2ALDH1A1
SCHEMBL3609489 0.82 TSHR (0.64) TSHRSMN1; SMN2ALDH1A1NPC1KMT2A
SCHEMBL3006709 0.82 TSHR (0.59) TSHRSMN1; SMN2ALDH1A1HDAC3HDAC1
SCHEMBL2755804 0.82 TSHR (0.59) TSHRSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL2721206 0.82 ALDH1A1 (0.65) TSHRSMN1; SMN2ALDH1A1NPC1KMT2A
SCHEMBL1720194 0.82 ALDH1A1 (0.67) TSHRSMN1; SMN2ALDH1A1NPC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7754743-B2 Heteroarylcarbamoylbenzene derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-07-13 US disclosed
US-20090018056-A1 Heteroarylcarbamoylbenzene derivatives MSD K.K. (JP) 2009-01-15 US disclosed
US-7432287-B2 Heteroarylcarbamoylbenzene derivative BANYU PHARMECEUTICAL CO., LTD. (JP) 2008-10-07 US disclosed
US-20060167053-A1 Heteroarylcarbamoylbenzene derivative MSD K.K. (JP) 2006-07-27 US disclosed
EP-1600442-A1 HETEROARYLCARBAMOYLBENZENE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-30 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 (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-20090018056-A1 Heteroarylcarbamoylbenzene derivatives GCK, GCKR, KHK TSHR 2079/4885SMN1; SMN2 4432/4885ALDH1A1 707/4885
US-20060167053-A1 Heteroarylcarbamoylbenzene derivative GCK, GCKR, GALK1 TSHR 3647/4885SMN1; SMN2 4329/4885ALDH1A1 902/4885

“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.