SCHEMBL18153628

SCHEMBL18153628

Cc1c(Oc2ccccc2)ccc([N+](=O)[O-])c1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
TDP1 Q9NUW8 3/20 0.57
TTR P02766 1/20 0.57
ALB P02768 1/20 0.57
THRB P10828 1/20 0.57
HTR6 P50406 1/20 0.49
HPSE Q9Y251 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 2/20 0.45
POLB P06746 2/20 0.45
CYP2C19 P33261 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HTT P42858 1/20 0.45
TSHR P16473 3/20 0.44
LMNA P02545 2/20 0.44
ALDH1A1 P00352 2/20 0.43
HSD17B10 Q99714 2/20 0.43
TLR4 O00206 1/20 0.43

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
SCHEMBL10884753 0.90 TDP1 (0.55) MEN1KMT2ATDP1TTRALB
SCHEMBL21295387 0.88 TDP1 (0.52) MEN1KMT2ATDP1TTRALB
SCHEMBL4718853 0.87 TDP1 (0.58) MEN1KMT2ATDP1TTRALB
SCHEMBL11098331 0.86 MEN1 (0.69) MEN1KMT2ATDP1TTRALB
SCHEMBL18956882 0.86 TDP1 (0.54) MEN1KMT2ATDP1TTRALB
SCHEMBL24635453 0.86 TDP1 (0.65) MEN1KMT2ATDP1TTRALB
SCHEMBL10882257 0.83 MEN1 (0.51) MEN1KMT2ATDP1TTRALB
SCHEMBL11100590 0.80 MEN1 (0.48) MEN1KMT2ATDP1TTRALB
SCHEMBL11100161 0.80 KMT2A (0.48) MEN1KMT2ATDP1TTRALB
SCHEMBL10006897 0.80 LTA4H (0.55) KMT2ATTRCYP1A2CYP2C9CYP2C19

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
US-10548897-B2 KSR antagonists ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2020-02-04 US disclosed
US-10548897-B2 KSR antagonists ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2020-02-04 US disclosed
US-20180256577-A1 KSR Antagonists NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-09-13 US disclosed
EP-3283466-A1 KSR ANTAGONISTS Icahn School of Medicine at Mount Sinai (US) 2018-02-21 EP disclosed
WO-2016168704-A1 KSR ANTAGONISTS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2016-10-20 WO disclosed
WO-2016168704-A1 KSR ANTAGONISTS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2016-10-20 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 (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-10548897-B2 KSR antagonists KSR1, KSR2, KRAS MEN1 1915/4885KMT2A 1127/4885TDP1 4397/4885
US-20180256577-A1 KSR Antagonists KSR1, KSR2, KRAS MEN1 1915/4885KMT2A 1127/4885TDP1 4397/4885

“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.