Sugi Predict

Sugi Predict / Compounds / SCHEMBL3330509

SCHEMBL3330509

SCHEMBL3330509

CCCCCCC1(CCCCCC)c2cc(Br)ccc2-c2ccc(-c3ccc(C#N)cc3)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ PDK2 Q15119 1/20 0.39
▸ ICMT O60725 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ HPGD P15428 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ PGR P06401 3/20 0.34
▸ HRH3 Q9Y5N1 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ CNR2 P34972 1/20 0.33

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
SCHEMBL16024254 0.90 TSHR (0.38) TSHRHSD17B10PDK2ICMTKDM4E
SCHEMBL16013671 0.90 TSHR (0.38) TSHRHSD17B10PDK2ICMTKDM4E
SCHEMBL16023952 0.90 TSHR (0.38) TSHRHSD17B10PDK2ICMTKDM4E
SCHEMBL22749433 0.89 RAB9A (0.35) PDK2L3MBTL1SMN1; SMN2TP53NPC1
SCHEMBL13480894 0.89 RAB9A (0.35) PDK2L3MBTL1SMN1; SMN2TP53NPC1
SCHEMBL2000265 0.89 RAB9A (0.35) PDK2L3MBTL1SMN1; SMN2TP53NPC1
SCHEMBL10357544 0.86 NPC1 (0.34) PDK2L3MBTL1SMN1; SMN2NPC1CYP1A2
SCHEMBL11887578 0.86 NPC1 (0.36) L3MBTL1SMN1; SMN2TP53NPC1CYP1A2
SCHEMBL10013961 0.86 NPC1 (0.36) L3MBTL1SMN1; SMN2TP53NPC1CYP1A2
SCHEMBL12379624 0.86 NPC1 (0.36) L3MBTL1SMN1; SMN2TP53NPC1CYP1A2

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
CN-101573324-B Arylamine compounds and electronic devices AGENCY SCIENCE TECH & RES 2013-11-20 — — CN disclosed
US-8518559-B2 Arylamine compounds and electronic devices AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2013-08-27 — — US disclosed
US-20100133519-A1 ARYLAMINE COMPOUNDS AND ELECTRONIC DEVICES AGENCY FOR SCIENCE, TECHNOLOGY ANR RESEARCH 2010-06-03 — — US disclosed
EP-2121573-A1 ARYLAMINE COMPOUNDS AND ELECTRONIC DEVICES Agency for Science Technology and Research (SG) 2009-11-25 — — EP disclosed
CN-101573324-A Arylamine compounds and electronic devices AGENCY SCIENCE TECH & RES (SG) 2009-11-04 — — CN disclosed
WO-2008069756-A1 ARYLAMINE COMPOUNDS AND ELECTRONIC DEVICES AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2008-06-12 — — WO 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-20100133519-A1 ARYLAMINE COMPOUNDS AND ELECTRONIC DEVICES TYR, AHR, ARNT TSHR 3060/4885HSD17B10 3372/4885PDK2 2030/4885

“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.