SCHEMBL18706367

SCHEMBL18706367

O=C1CCCC(c2ncccc2F)C1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
HDAC1 Q13547 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
RIPK1 Q13546 2/20 0.34
ESR2 Q92731 1/20 0.33
DHODH Q02127 4/20 0.33
ALDH1A1 P00352 1/20 0.33
HCRTR1 O43613 2/20 0.32
HCRTR2 O43614 2/20 0.32
HTR1A P08908 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
P2RX7 Q99572 3/20 0.32

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
SCHEMBL18705740 0.82 OPRL1 (0.44) MAPTHDAC1HDAC6DHODHALDH1A1
SCHEMBL2563345 0.80 HTR1A (0.38) RIPK1HTR1ASLC6A2SLC6A4P2RX7
SCHEMBL1303293 0.80 MAPT (0.41) MAPTESR2
SCHEMBL11989079 0.80 MAPT (0.41) MAPTESR2
SCHEMBL23853811 0.76 HTR1A (0.40) RIPK1HTR1ASLC6A2SLC6A4P2RX7
Acetic Acid SCHEMBL27839848 0.74 RIPK1 (0.37) HDAC1HDAC6RIPK1ESR2P2RX7
SCHEMBL3261840 0.73 DDB1 (0.45) MAPTESR2ALDH1A1
SCHEMBL30350523 0.73 DDB1 (0.45) MAPTESR2ALDH1A1
SCHEMBL2457303 0.70 HCAR2 (0.45) ESR2HTR1ASLC6A2SLC6A4P2RX7
SCHEMBL3784551 0.69 HTR1A (0.55) HTR1ASLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190071416-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2019-03-07 US disclosed
EP-3371151-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS Agency For Science, Technology And Research (SG) 2018-09-12 EP disclosed
WO-2017061957-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-04-13 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-20190071416-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS SMYD3, SMYD2, EHMT1 MAPT 4633/4885HDAC1 112/4885HDAC6 375/4885

“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.