SCHEMBL18173201

SCHEMBL18173201

Cc1ccc(S(=O)(=O)NN=CC(F)=Cc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.59
KMT2A Q03164 9/20 0.59
MEN1 O00255 8/20 0.59
KDM4E B2RXH2 3/20 0.59
TDP1 Q9NUW8 4/20 0.50
LMNA P02545 4/20 0.47
RRM1 P23921 1/20 0.47
RECQL P46063 2/20 0.46
MAPT P10636 5/20 0.45
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
F2 P00734 1/20 0.44
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
ALOX12 P18054 1/20 0.44

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
SCHEMBL18173200 1.00 ALDH1A1 (0.59) ALDH1A1KMT2AMEN1KDM4ETDP1
SCHEMBL8218297 0.85 KMT2A (0.60) ALDH1A1KMT2AMEN1KDM4ETDP1
SCHEMBL6638949 0.79 KMT2A (0.70) ALDH1A1KMT2AMEN1KDM4ETDP1
SCHEMBL714847 0.79 KMT2A (0.70) ALDH1A1KMT2AMEN1KDM4ETDP1
SCHEMBL714848 0.79 KMT2A (0.70) ALDH1A1KMT2AMEN1KDM4ETDP1
SCHEMBL7001853 0.77 KMT2A (0.68) ALDH1A1KMT2AMEN1KDM4ETDP1
SCHEMBL7001854 0.77 KMT2A (0.68) ALDH1A1KMT2AMEN1KDM4ETDP1
SCHEMBL3634239 0.77 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1KDM4ETDP1
SCHEMBL3634237 0.77 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1KDM4ETDP1
SCHEMBL28615508 0.77 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1KDM4ETDP1

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
EP-3286172-B1 LSD1 INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS INC (US) 2019-06-12 EP disclosed
US-20180290976-A1 LSD1 INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2018-10-11 US disclosed
EP-3286172-A1 LSD1 INHIBITORS AND USES THEREOF Constellation Pharmaceuticals, Inc. (US) 2018-02-28 EP disclosed
WO-2016172496-A1 LSD1 INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2016-10-27 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 (1 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-20180290976-A1 LSD1 INHIBITORS AND USES THEREOF KDM1B, KDM1A, KDM2A ALDH1A1 187/4885KMT2A 26/4885MEN1 3493/4885

“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.