SCHEMBL13151996

SCHEMBL13151996

CC(C)(C)C(=O)c1cc(Cl)ccc1N

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.53
NOS2 P35228 2/20 0.48
FADS1 O60427 1/20 0.47
ABL1 P00519 1/20 0.46
GCK P35557 2/20 0.43
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
CYP3A4 P08684 2/20 0.43
TSHR P16473 2/20 0.43
ALOX15 P16050 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HSD17B2 P37059 1/20 0.43
SERPINE1 P05121 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
KCNH2 Q12809 1/20 0.43
GFER P55789 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 1/20 0.42
GLA P06280 1/20 0.42

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
SCHEMBL10917039 0.85 ABL1 (0.59) RECQLABL1ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL25261672 0.83 RECQL (0.54) RECQLNOS2FADS1ABL1GCK
SCHEMBL29911166 0.81 RECQL (0.53) RECQLNOS2FADS1ABL1GCK
SCHEMBL523743 0.81 RECQL (0.53) RECQLNOS2FADS1ABL1GCK
SCHEMBL8087168 0.80 RECQL (0.56) RECQLNOS2FADS1ABL1GCK
Hydrochloric Acid SCHEMBL16992931 0.80 RECQL (0.51) RECQLNOS2FADS1ABL1GCK
Hydrochloric Acid SCHEMBL30522383 0.80 RECQL (0.51) RECQLNOS2FADS1ABL1GCK
SCHEMBL28019535 0.80 KDM4E (0.53) ABL1ALDH1A1SMN1; SMN2TSHRSERPINE1
SCHEMBL13152009 0.79 MAPT (0.51) RECQLALDH1A1SMN1; SMN2CYP3A4TSHR
SCHEMBL23313191 0.79 CA1 (0.60) SMN1; SMN2ALOX15LMNAHTTKCNH2

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-20170014419-A1 MEDICAMENT FOR SUPPRESSING MALIGNANT TUMOR METASTASIS NATIONAL CEREBRAL AND CARDIOVASCULAR CENTER (JP) 2017-01-19 US disclosed
US-20170014419-A1 MEDICAMENT FOR SUPPRESSING MALIGNANT TUMOR METASTASIS NATIONAL CEREBRAL AND CARDIOVASCULAR CENTER (JP) 2017-01-19 US disclosed
US-8461209-B2 Malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-06-11 US disclosed
US-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-09 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 (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-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF REN, AGTR2, AGTR1 RECQL 3794/4885NOS2 2370/4885FADS1 602/4885
US-20170014419-A1 MEDICAMENT FOR SUPPRESSING MALIGNANT TUMOR METASTASIS AGTR2, MME, AGTR1 RECQL 4136/4885NOS2 2671/4885FADS1 3858/4885

“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.