SCHEMBL19987488

SCHEMBL19987488

CCCC(C)NC(=O)Nc1ccccc1F

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 3/20 0.76
TAS1R1 Q7RTX1 3/20 0.76
LMNA P02545 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
ALDH1A1 P00352 2/20 0.61
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
POLB P06746 1/20 0.59
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
EPHX2 P34913 2/20 0.52
HPGD P15428 1/20 0.49

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
SCHEMBL21141321 0.88 TAS1R3 (0.63) TAS1R3TAS1R1LMNASMN1; SMN2ALDH1A1
SCHEMBL19987535 0.88 TAS1R3 (0.67) TAS1R3TAS1R1LMNASMN1; SMN2ALDH1A1
SCHEMBL702640 0.87 TAS1R3 (1.00) TAS1R3TAS1R1LMNASMN1; SMN2ALDH1A1
SCHEMBL19987404 0.82 TAS1R3 (0.89) TAS1R3TAS1R1LMNASMN1; SMN2ALDH1A1
SCHEMBL25305806 0.81 EPHX2 (0.58) TAS1R3TAS1R1LMNASMN1; SMN2ALDH1A1
SCHEMBL17049551 0.81 SMN1; SMN2 (0.73) TAS1R3TAS1R1LMNASMN1; SMN2ALDH1A1
SCHEMBL8360543 0.78 HSD17B10 (0.58) SMN1; SMN2ALDH1A1MEN1KMT2APOLB
SCHEMBL19472645 0.78 LMNA (0.57) TAS1R3TAS1R1LMNASMN1; SMN2ALDH1A1
SCHEMBL23652083 0.77 TAS1R3 (0.48) TAS1R3TAS1R1LMNASMN1; SMN2ALDH1A1
SCHEMBL19540526 0.77 ALDH1A1 (0.60) TAS1R3TAS1R1LMNASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10399932-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-03 US disclosed
US-20180079712-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL MYERS SQUIBB CO (US) 2018-03-22 US 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-10399932-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT TAS1R3 4806/4885TAS1R1 4776/4885LMNA 4373/4885
US-20180079712-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT TAS1R3 4806/4885TAS1R1 4776/4885LMNA 4373/4885

“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.