SCHEMBL2464249

SCHEMBL2464249

NN(C(=O)C1CCCCC1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.50
HPGD P15428 1/20 0.46
ACHE P22303 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
MITF O75030 1/20 0.44
ALDH1A1 P00352 1/20 0.44
RAB9A P51151 1/20 0.44
PAX8 Q06710 1/20 0.44
PKM P14618 1/20 0.44
LMNA P02545 2/20 0.43
POLB P06746 1/20 0.43
ELANE P08246 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM3 P20309 1/20 0.43
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41

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
Hydrochloric Acid SCHEMBL11830306 0.98 HTT (0.49) HTTHPGDACHESMN1; SMN2MEN1
SCHEMBL20268246 0.98 HTT (0.51) HTTHPGDACHESMN1; SMN2MEN1
SCHEMBL2259800 0.95 HTT (0.51) HTTHPGDACHESMN1; SMN2MEN1
SCHEMBL6429633 0.91 HTT (0.59) HTTSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL28705768 0.85 HTT (0.53) HTTHPGDACHESMN1; SMN2MEN1
SCHEMBL28992358 0.83 HTT (0.55) HTTHPGDACHESMN1; SMN2MEN1
SCHEMBL6425135 0.83 CNR2 (0.52) HPGDSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL2592597 0.81 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1POLBHDAC3HDAC1
SCHEMBL19265536 0.81 CNR2 (0.50) HPGDSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL835697 0.80 HTT (0.51) HTTHPGDACHESMN1; SMN2MEN1

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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2100605-B9 Bis(thio-hydrazide amide) compounds in combination with taxol for treating cancer SYNTA PHARMACEUTICALS CORP (US) 2012-05-09 EP disclosed
EP-2100605-B1 Bis(thio-hydrazide amide) compounds in combination with taxol for treating cancer SYNTA PHARMACEUTICALS CORP (US) 2011-09-07 EP disclosed
US-7763658-B2 administering bis[thio-hydrazide amide] Compounds for treating multi-drug resistant cancer SYNTA PHARMACEUTICALS CORP. (US) 2010-07-27 US disclosed
US-7763658-B2 administering bis[thio-hydrazide amide] Compounds for treating multi-drug resistant cancer SYNTA PHARMACEUTICALS CORP. (US) 2010-07-27 US disclosed
US-7763658-B2 administering bis[thio-hydrazide amide] Compounds for treating multi-drug resistant cancer SYNTA PHARMACEUTICALS CORP. (US) 2010-07-27 US disclosed
US-7750042-B2 Paclitaxel enhancer compound SYNTA PHARMACEUTICALS CORP. (US) 2010-07-06 US disclosed
US-7750042-B2 Paclitaxel enhancer compound SYNTA PHARMACEUTICALS CORP. (US) 2010-07-06 US disclosed
US-7750042-B2 Paclitaxel enhancer compound SYNTA PHARMACEUTICALS CORP. (US) 2010-07-06 US disclosed
US-7652168-B2 Synthesis of taxol enhancers SYNTA PHARMACEUTICALS CORP. (US) 2010-01-26 US disclosed
US-7652168-B2 Synthesis of taxol enhancers SYNTA PHARMACEUTICALS CORP. (US) 2010-01-26 US disclosed
US-20040229952-A1 Synthesis of taxol enhancers SYNTA PHARMACEUTICALS CORP. 2004-11-18 US disclosed
US-20040225016-A1 administering bis[thio-hydrazide amide] Compounds for treating multi-drug resistant cancer SYNTA PHARMACEUTICALS CORPORATION 2004-11-11 US disclosed
WO-2004064826-A1 BIS (THIO-HYDRAZIDE AMIDE) COMPOUNDS FOR TREATING MULTI-DRUG RESISTANT CANCER SYNTA PHARMACEUTICALS CORP. (US) 2004-08-05 WO disclosed
US-6762204-B2 CERTAIN BIS(THIO-HYDRAZIDE AMIDE) COMPOUNDS SIGNIFICANTLY ENHANCE THE ANTICANCER ACTIVITY OF TAXOL. SYNTA PHARMACEUTICALS, INC. 2004-07-13 US disclosed
EP-1406870-A1 TAXOL ENHANCER COMPOUNDS Synta Pharmaceuticals Corporation (US) 2004-04-14 EP disclosed
EP-1406868-A1 SYNTHESIS OF TAXOL ENHANCERS Synta Pharmaceuticals Corporation (US) 2004-04-14 EP disclosed
US-20030069225-A1 Synthesis of taxol enhancers SHIONOGI BIORESEARCH CORP. 2003-04-10 US disclosed
US-20030045518-A1 Taxol enhancer compounds SHIONOGI BIORESEARCH CORP. (US) 2003-03-06 US disclosed
WO-2003006428-A1 TAXOL ENHANCER COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2003-01-23 WO disclosed
WO-2003006429-A1 SYNTHESIS OF TAXOL ENHANCERS SYNTA PHARMACEUTICALS CORP. (US) 2003-01-23 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 (4 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-20030045518-A1 Taxol enhancer compounds CCNY, CENPE, CCR1 HTT 1645/4885HPGD 3089/4885ACHE 970/4885
US-20040225016-A1 administering bis[thio-hydrazide amide] Compounds for treating multi-drug resistant cancer CBR1, ABCC1, CBR3 HTT 1422/4885HPGD 1433/4885ACHE 2672/4885
US-20030069225-A1 Synthesis of taxol enhancers TOP2B, TUBB1, TUBA1B HTT 308/4885HPGD 1306/4885ACHE 1357/4885
US-20040229952-A1 Synthesis of taxol enhancers TOP2B, TUBB1, TUBA1B HTT 308/4885HPGD 1306/4885ACHE 1357/4885

“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.