SCHEMBL7995375

SCHEMBL7995375

CC(C)(C)c1ccc(CNc2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.59
CA2 P00918 2/20 0.59
MEN1 O00255 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
KMT2A Q03164 1/20 0.58
MAOB P27338 1/20 0.55
HTT P42858 1/20 0.53
LMNA P02545 1/20 0.51
RAB9A P51151 1/20 0.51
FFAR1 O14842 1/20 0.50
KDM1A O60341 1/20 0.50
PTPRF P10586 1/20 0.50
PTPN2 P17706 1/20 0.50
PTPN1 P18031 1/20 0.50
PTPN11 Q06124 1/20 0.50
EPHX2 P34913 1/20 0.46
NR1H4 Q96RI1 1/20 0.46

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
SCHEMBL5608817 0.92 HTT (0.63) CA1CA2MEN1CYP1A2CYP3A4
SCHEMBL19573446 0.90 CA1 (0.51) CA1CA2MEN1CYP1A2CYP3A4
SCHEMBL5184746 0.90 CA1 (0.70) CA1CA2MEN1KMT2AHTT
SCHEMBL6690731 0.87 CA1 (0.54) CA1CA2MEN1CYP1A2CYP3A4
SCHEMBL5175715 0.84 KMT2A (0.50) CA1CA2MEN1CYP1A2CYP3A4
SCHEMBL2065031 0.83 CYP1A2 (0.69) CA1CA2MEN1CYP1A2CYP3A4
SCHEMBL21414931 0.83 MAPT (0.62) CA1CA2MEN1KMT2AHTT
SCHEMBL5535364 0.83 CA1 (0.58) CA1CA2MEN1KMT2AMAOB
SCHEMBL11314940 0.82 KDM4E (0.53) CA1CA2KMT2AMAOBLMNA
SCHEMBL4035951 0.82 CACNA1B (0.59) MAOBHTTFFAR1

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-8034811-B2 Hydroxamic acid esters and pharmaceutical use thereof LEO PHARMA A/S (DK) 2011-10-11 US disclosed
EP-1300407-B2 CARBAMATES DERIVED FROM ARYLALKYLAMINES S A L V A T LAB SA (ES) 2011-06-08 EP disclosed
US-20100197657-A1 2-ARYL OR HETEROARYL INDOLE DERIVATIVES CHANG RONALD K 2010-08-05 US disclosed
US-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof LEO PHARMA A/S (DK) 2007-10-18 US disclosed
US-6288061-B1 INTERLEUKIN INHIBITORS; ASTHMA, BRONCHODILATOR AGENTS, ANTIALLERGENS WELFIDE CORPORATION (JP) 2001-09-11 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-20100197657-A1 2-ARYL OR HETEROARYL INDOLE DERIVATIVES ASIC1, ASIC3, TRPV1 CA1 580/4885CA2 46/4885MEN1 3322/4885
US-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof F9, F12, HDAC9 CA1 492/4885CA2 433/4885MEN1 3428/4885

“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.