SCHEMBL18153600

SCHEMBL18153600

O=C(/C=C/c1nccs1)c1nccs1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.51
EGFR P00533 1/20 0.51
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
ALDH1A1 P00352 3/20 0.48
RIOK2 Q9BVS4 1/20 0.37
RBBP9 O75884 4/20 0.36
RAB9A P51151 4/20 0.35
NPC1 O15118 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
KDM4E B2RXH2 2/20 0.35
KMT2A Q03164 2/20 0.35
NFKB1 P19838 2/20 0.35
NFKB2 Q00653 2/20 0.35
RELA Q04206 2/20 0.35
PLA2G4A P47712 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL18153601 1.00 JAK2 (0.51) JAK2EGFRMAOAMAOBALDH1A1
SCHEMBL18250750 0.81 JAK2 (0.49) JAK2EGFRMAOAMAOBALDH1A1
SCHEMBL20571322 0.81 ALDH1A1 (0.47) JAK2EGFRALDH1A1RBBP9RAB9A
SCHEMBL18165785 0.80 JAK2 (0.44) JAK2EGFRMAOAMAOBALDH1A1
SCHEMBL2783487 0.79 JAK2 (0.48) JAK2EGFRMAOAMAOBALDH1A1
SCHEMBL2783490 0.79 JAK2 (0.48) JAK2EGFRMAOAMAOBALDH1A1
SCHEMBL15525567 0.78 KMT2A (0.58) MAOAMAOBALDH1A1RAB9ANPC1
SCHEMBL12148622 0.78 MAOB (0.52) JAK2EGFRMAOAMAOBALDH1A1
SCHEMBL15525568 0.78 KMT2A (0.58) MAOAMAOBALDH1A1RAB9ANPC1
SCHEMBL4573054 0.78 JAK2 (0.50) JAK2EGFRMAOAMAOBALDH1A1

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-20210094968-A1 COMPOSITIONS AND METHODS OF MODULATING SHORT-CHAIN DEHYDROGENASE ACTIVITY BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2021-04-01 US disclosed
US-20180118756-A1 COMPOSITIONS AND METHODS OF MODULATING SHORT-CHAIN DEHYDROGENASE ACTIVITY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-05-03 US disclosed
US-20180118756-A1 COMPOSITIONS AND METHODS OF MODULATING SHORT-CHAIN DEHYDROGENASE ACTIVITY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-05-03 US disclosed
EP-3283074-A1 COMPOSITIONS AND METHODS OF MODULATING SHORT-CHAIN DEHYDROGENASE ACTIVITY Case Western Reserve University (US) 2018-02-21 EP disclosed
WO-2016168472-A1 COMPOSITIONS AND METHODS OF MODULATING SHORT-CHAIN DEHYDROGENASE ACTIVITY CASE WESTERN RESERVE UNIVERSITY (US) 2016-10-20 WO disclosed
WO-2016168472-A1 COMPOSITIONS AND METHODS OF MODULATING SHORT-CHAIN DEHYDROGENASE ACTIVITY CASE WESTERN RESERVE UNIVERSITY (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-20210094968-A1 COMPOSITIONS AND METHODS OF MODULATING SHORT-CHAIN DEHYDROGENASE ACTIVITY HPGD, GCDH, HPGDS JAK2 4026/4885EGFR 4814/4885MAOA 495/4885
US-20180118756-A1 COMPOSITIONS AND METHODS OF MODULATING SHORT-CHAIN DEHYDROGENASE ACTIVITY HPGD, GCDH, HPGDS JAK2 4026/4885EGFR 4814/4885MAOA 495/4885

“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.