SCHEMBL401984

SCHEMBL401984

OCNc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.67
KMT2A Q03164 4/20 0.67
GAA P10253 3/20 0.67
MAPT P10636 3/20 0.67
BLM P54132 2/20 0.67
TP53 P04637 1/20 0.67
ATM Q13315 1/20 0.67
CYP1A2 P05177 2/20 0.61
CYP2C19 P33261 2/20 0.61
LMNA P02545 1/20 0.61
PTGS1 P23219 1/20 0.61
SLC6A2 P23975 1/20 0.61
PTGS2 P35354 1/20 0.61
SLC6A3 Q01959 1/20 0.61
HIF1A Q16665 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
RAB9A P51151 5/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
NPC1 O15118 3/20 0.58
LTA4H P09960 2/20 0.58

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
SCHEMBL1799092 0.85 NPC1 (0.61) MEN1KMT2AGAAMAPTBLM
SCHEMBL11838896 0.84 MAPT (0.84) MEN1KMT2AGAAMAPTBLM
SCHEMBL6376293 0.82 AR (0.62) MEN1KMT2AGAAMAPTBLM
SCHEMBL22862421 0.81 CYP1A2 (0.66) MEN1KMT2AGAAMAPTBLM
SCHEMBL10832371 0.81 NPC1 (0.57) MEN1KMT2AGAAMAPTBLM
SCHEMBL9483568 0.81 SMN1; SMN2 (0.59) MEN1KMT2AGAAMAPTBLM
SCHEMBL6630458 0.81 RAB9A (0.65) MEN1KMT2AGAAMAPTBLM
Hydrochloric Acid SCHEMBL28494253 0.81 AR (0.60) MEN1KMT2AGAAMAPTBLM
SCHEMBL339813 0.80 LMNA (0.82) GAAMAPTCYP1A2CYP2C19LMNA
SCHEMBL4667164 0.80 MAPT (1.00) MEN1KMT2AGAAMAPTBLM

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180185403-A1 METHODS OF DIAGNOSING AND TREATING CANCER CASE WESTERN RESERVE UNIVERSITY 2018-07-05 US disclosed
US-20170071965-A1 ANTIMETABOLITE AGENT COMBINATIONS IN THE TREATMENT OF CANCER UNIV CASE WESTERN RESERVE (US) 2017-03-16 US disclosed
US-8716346-B2 Alkylating agent combinations in the treatment of cancer CASE WESTERN RESERVE UNIVERSITY (US) 2014-05-06 US disclosed
US-20140066464-A1 METHODS OF DIAGNOSING AND TREATING CANCER CASE WESTERN RESERVE UNIVERSITY (US) 2014-03-06 US disclosed
US-8324282-B2 Alkylating agent combinations in the treatment of cancer CASE WESTERN RESERVE UNIVERSITY (US) 2012-12-04 US disclosed
US-20120065145-A1 ALKYLATING AGENT COMBINATIONS IN THE TREATMENT OF CANCER GERSON STANTON L (US) 2012-03-15 US disclosed
US-7786162-B2 Agents useful for reducing amyloid precursor protein and treating dementia and methods of use thereof Raptor Pharmaceutical Corp. (US) 2010-08-31 US disclosed
US-20090131501-A1 Agents Useful for Reducing Amyloid Precursor Protein and Treating Dementia and Methods of Use Thereof TORREYPINES THERAPEUTICS (US) 2009-05-21 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 (5 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-20090131501-A1 Agents Useful for Reducing Amyloid Precursor Protein and Treating Dementia and Methods of Use Thereof APP, BACE1, PSEN1 MEN1 2576/4885KMT2A 4287/4885GAA 128/4885
US-20140066464-A1 METHODS OF DIAGNOSING AND TREATING CANCER UNG, NTPCR, GUSB MEN1 3533/4885KMT2A 2949/4885GAA 749/4885
US-20120065145-A1 ALKYLATING AGENT COMBINATIONS IN THE TREATMENT OF CANCER UNG, TOP2A, OGG1 MEN1 2929/4885KMT2A 625/4885GAA 1700/4885
US-20180185403-A1 METHODS OF DIAGNOSING AND TREATING CANCER UNG, TP53, OGG1 MEN1 3837/4885KMT2A 2973/4885GAA 318/4885
US-20170071965-A1 ANTIMETABOLITE AGENT COMBINATIONS IN THE TREATMENT OF CANCER DNASE1, DNASE1L3, UNG MEN1 2894/4885KMT2A 2347/4885GAA 108/4885

“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.