Sugi Predict

Sugi Predict / Compounds / SCHEMBL13624707

SCHEMBL13624707

SCHEMBL13624707

COc1cc(CN)c2ccccc2c1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ HTR2A P28223 1/20 0.42
▸ HTR2C P28335 1/20 0.42
▸ HTR2B P41595 1/20 0.42
▸ TAAR1 Q96RJ0 1/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ PKM P14618 1/20 0.40
▸ TUBB4A P04350 1/20 0.40
▸ TUBB P07437 1/20 0.40
▸ TUBA3C P0DPH7 1/20 0.40
▸ TUBA1B P68363 1/20 0.40
▸ TUBA4A P68366 1/20 0.40
▸ TUBB4B P68371 1/20 0.40
▸ TUBB3 Q13509 1/20 0.40
▸ TUBB2A Q13885 1/20 0.40
▸ TUBB8 Q3ZCM7 1/20 0.40
▸ TUBA3E Q6PEY2 1/20 0.40

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
SCHEMBL30503944 0.77 SMN1; SMN2 (0.61) KDM4EALDH1A1MAPK1SMN1; SMN2TUBB4A
SCHEMBL3670609 0.77 SMN1; SMN2 (0.61) KDM4EALDH1A1MAPK1SMN1; SMN2TUBB4A
SCHEMBL14655775 0.76 TAAR1 (0.56) HTR2AHTR2CTAAR1CYP1A2PKM
SCHEMBL29543480 0.76 TAAR1 (0.56) HTR2AHTR2CTAAR1CYP1A2PKM
SCHEMBL3971262 0.76 IDO1 (0.57) KDM4ESMN1; SMN2TAAR1IDO1EP300
Hydrochloric Acid SCHEMBL1134107 0.74 EP300 (0.58) KDM4ESMN1; SMN2TAAR1IDO1EP300
SCHEMBL4289049 0.74 CYP19A1 (0.55) HTR2A
SCHEMBL401290 0.73 KDM4E (0.56) KDM4EALDH1A1MAPK1SMN1; SMN2CYP1A2
SCHEMBL9971029 0.73 PKM (0.53) KDM4EALDH1A1MAPK1SMN1; SMN2TAAR1
SCHEMBL3577502 0.73 PKM (0.53) KDM4EALDH1A1MAPK1SMN1; SMN2PKM

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-20090275664-A1 NOVEL POLYAMINE ANALOG CONJUGATES AND QUINONE CONJUGATES AS THERAPIES FOR CANCERS AND PROSTATE DISEASES PROGEN PHARMACEUTICALS, INC. 2009-11-05 — — US disclosed
US-20080194697-A1 NOVEL POLYAMINE ANALOG CONJUGATES AND QUINONE CONJUGATES AS THERAPIES FOR CANCERS AND PROSTATE DISEASES CELLGATE, INC. 2008-08-14 — — US disclosed
US-7279502-B2 Polyamine analog conjugates and quinone conjugates as therapies for cancers and prostate diseases CELLGATE, INC. (US) 2007-10-09 — — US disclosed
US-7253207-B2 Quinones as disease therapies CELLGATE, INC. (US) 2007-08-07 — — 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-20080194697-A1 NOVEL POLYAMINE ANALOG CONJUGATES AND QUINONE CONJUGATES AS THERAPIES FOR CANCERS AND PROSTATE DISEASES CTSB, KLK3, FOLH1 KDM4E 3918/4885ALDH1A1 1045/4885MAPK1 2878/4885
US-20090275664-A1 NOVEL POLYAMINE ANALOG CONJUGATES AND QUINONE CONJUGATES AS THERAPIES FOR CANCERS AND PROSTATE DISEASES CTSB, CTSL, CTSV KDM4E 3776/4885ALDH1A1 1038/4885MAPK1 3339/4885

“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.