SCHEMBL19987418

SCHEMBL19987418

CCC(CC)C(=O)Nc1ccc(Cl)cc1F

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
KMT2A Q03164 3/20 0.52
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
PKM P14618 1/20 0.50
MAPT P10636 3/20 0.49
TDP1 Q9NUW8 1/20 0.49
NPC1 O15118 2/20 0.49
TSHR P16473 1/20 0.49
MEN1 O00255 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HTT P42858 1/20 0.48
CA12 O43570 1/20 0.48
CA9 Q16790 1/20 0.48
RAB9A P51151 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48

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
SCHEMBL19232114 0.87 ALDH1A1 (0.64) ALDH1A1KMT2ACA1CA2PKM
SCHEMBL18119752 0.83 KMT2A (0.56) ALDH1A1KMT2ACA1CA2PKM
SCHEMBL5080949 0.82 FPR2 (0.61) ALDH1A1KMT2ACA1CA2PKM
SCHEMBL28570981 0.81 KMT2A (0.55) ALDH1A1KMT2ACA1CA2PKM
SCHEMBL28570980 0.81 KMT2A (0.55) ALDH1A1KMT2ACA1CA2PKM
SCHEMBL19707984 0.80 KMT2A (0.66) KMT2ACA1CA2MAPTTDP1
SCHEMBL11430785 0.80 KMT2A (0.54) ALDH1A1KMT2ACA1CA2PKM
SCHEMBL19464682 0.80 ALDH1A1 (0.60) ALDH1A1KMT2AMAPTTDP1NPC1
SCHEMBL10403114 0.78 SMN1; SMN2 (0.46) ALDH1A1KMT2ACA1CA2PKM
SCHEMBL8895665 0.78 KMT2A (0.51) ALDH1A1KMT2ACA1CA2PKM

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 ALDH1A1 263/4885KMT2A 400/4885CA1 2221/4885
US-20180079712-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT ALDH1A1 263/4885KMT2A 400/4885CA1 2221/4885

“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.