SCHEMBL3899407

SCHEMBL3899407

Cc1cc(C)c(NCC(N)=O)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
ALDH1A1 P00352 3/20 0.46
RAPGEF4 Q8WZA2 2/20 0.43
TSHR P16473 1/20 0.42
HPGD P15428 2/20 0.41
MAPT P10636 1/20 0.41
NLRP3 Q96P20 1/20 0.40
POLB P06746 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTT P42858 1/20 0.39
ALOX15 P16050 1/20 0.38
PKM P14618 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
LCK P06239 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
SCHEMBL3708106 0.82 LMNA (0.52) LMNAALDH1A1RAPGEF4TSHRHPGD
Hydrochloric Acid SCHEMBL14988832 0.82 LMNA (0.52) LMNAALDH1A1RAPGEF4TSHRHPGD
SCHEMBL11335323 0.81 LMNA (0.51) LMNAALDH1A1RAPGEF4TSHRHPGD
SCHEMBL11273478 0.80 DRD2 (0.46) LMNAALDH1A1MAPTNLRP3POLB
SCHEMBL15516425 0.78 NLRP3 (0.46) LMNAALDH1A1RAPGEF4TSHRHPGD
SCHEMBL11261894 0.78 PGR (0.38) LMNATSHRMEN1KMT2AHTT
SCHEMBL5312679 0.76 NLRP3 (0.59) LMNAALDH1A1TSHRHPGDMAPT
SCHEMBL11261899 0.76 TACR1 (0.32) LMNAALDH1A1TSHRMEN1KMT2A
SCHEMBL27478662 0.74 LMNA (0.68) LMNAALDH1A1TSHRHPGDMAPT
SCHEMBL11261326 0.74 RORC (0.34) HPGD

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
EP-1730117-B1 THIOUREA COMPOSITIONS AND USES THEREOF UNIV HONG KONG (CN) 2015-12-02 EP disclosed
US-20090226422-A1 Chemical Inhibitors of Inhibitors of Differentiation ANGIOGENEX 2009-09-10 US disclosed
US-7501510-B2 Thiourea compositions and uses thereof THE UNIVERSITY OF HONG KONG (CN) 2009-03-10 US disclosed
US-7501510-B2 Thiourea compositions and uses thereof THE UNIVERSITY OF HONG KONG (CN) 2009-03-10 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 (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-20090226422-A1 Chemical Inhibitors of Inhibitors of Differentiation BRAF, MAPK1, RAF1 LMNA 2937/4885ALDH1A1 1860/4885RAPGEF4 332/4885

“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.