SCHEMBL1094302

SCHEMBL1094302

O=[N+]([O-])c1nn(C2CCCCO2)cc1-c1cc(C(F)(F)F)ccc1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HPD P32754 2/20 0.34
FGFR1 P11362 1/20 0.33
DDR2 Q16832 1/20 0.33
TLR2 O60603 2/20 0.33
TLR1 Q15399 2/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
GAA P10253 1/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
AR P10275 5/20 0.32
ABL1 P00519 1/20 0.31

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
SCHEMBL1690637 0.90 FGFR1 (0.37) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL320094 0.87 CYP4F2 (0.35) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL320305 0.86 TLR2 (0.35) TLR2TLR1CYP4F2CYP4A11AR
SCHEMBL323521 0.85 IDO1 (0.36) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL10185631 0.78 RXRA (0.31) ABL1
SCHEMBL327539 0.78 GPR84 (0.34)
SCHEMBL17610374 0.75 ATR (0.35) MEN1KMT2AMAPTALDH1A1ABL1
SCHEMBL319862 0.71 ALDH1A1 (0.37) KMT2AALDH1A1LMNACYP1A2CYP2C19
SCHEMBL15464452 0.70
SCHEMBL9912468 0.70 CYP1A2 (0.35) MEN1KMT2AMAPTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2385938-B1 SULFONAMIDE DERIVATIVES PFIZER LTD (GB) 2015-03-04 EP disclosed
EP-2385938-B1 SULFONAMIDE DERIVATIVES PFIZER LTD (GB) 2015-03-04 EP disclosed
US-8907101-B2 Sulfonamide derivatives PFIZER LIMITED (GB) 2014-12-09 US disclosed
US-20130338111-A1 Sulfonamide Derivatives ICAGEN, INC. (US) 2013-12-19 US disclosed
US-8541588-B2 Sulfonamide derivatives PFIZER LIMITED (GB) 2013-09-24 US disclosed
US-20120149679-A1 Sulfonamide Derivatives ICAGEN, INC. 2012-06-14 US disclosed
US-8153814-B2 Sulfonamide derivatives PFIZER LIMITED (GB) 2012-04-10 US disclosed
EP-2385938-A1 SULFONAMIDE DERIVATIVES Pfizer Limited (GB) 2011-11-16 EP disclosed
US-8040476-B2 Display device and method of producing the same MITSUBISHI ELECTRIC CORPORATION (JP) 2011-10-18 US disclosed
US-20100197655-A1 SULFONAMIDE DERIVATIVES Pfizer Limited Icagen, Inc. 2010-08-05 US disclosed
WO-2010079443-A1 SULFONAMIDE DERIVATIVES PFIZER LIMITED (GB) 2010-07-15 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 (3 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-20100197655-A1 SULFONAMIDE DERIVATIVES SULT2A1, SULT1A1, TPST2 MEN1 4141/4885KMT2A 3314/4885MAPT 11/4885
US-20130338111-A1 Sulfonamide Derivatives SULT2A1, SULT1A1, TPST2 MEN1 4141/4885KMT2A 3314/4885MAPT 11/4885
US-20120149679-A1 Sulfonamide Derivatives SULT2A1, SULT1A1, TPST2 MEN1 4141/4885KMT2A 3314/4885MAPT 11/4885

“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.