SCHEMBL18119752

SCHEMBL18119752

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.56
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
HPGD P15428 1/20 0.51
MEN1 O00255 4/20 0.51
MAPT P10636 4/20 0.51
HTT P42858 2/20 0.51
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
KDM4E B2RXH2 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
LMNA P02545 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
PKM P14618 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TAS1R3 Q7RTX0 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
SCHEMBL28570981 0.89 KMT2A (0.55) KMT2ASMN1; SMN2NPC1RAB9AHPGD
SCHEMBL28570980 0.89 KMT2A (0.55) KMT2ASMN1; SMN2NPC1RAB9AHPGD
SCHEMBL17845364 0.88 ALDH1A1 (0.49) KMT2ARAB9AMEN1MAPTHTT
SCHEMBL19232114 0.84 ALDH1A1 (0.64) KMT2ASMN1; SMN2NPC1RAB9AHPGD
SCHEMBL8895665 0.84 KMT2A (0.51) KMT2ASMN1; SMN2NPC1RAB9AHPGD
SCHEMBL19707984 0.84 KMT2A (0.66) KMT2ASMN1; SMN2NPC1RAB9AHPGD
SCHEMBL12780368 0.83 RECQL (0.61) KMT2ASMN1; SMN2NPC1RAB9AMEN1
SCHEMBL14254797 0.83 ALDH1A1 (0.55) KMT2ASMN1; SMN2NPC1RAB9AHPGD
SCHEMBL19987418 0.83 ALDH1A1 (0.56) KMT2ASMN1; SMN2NPC1RAB9AHPGD
SCHEMBL7230992 0.81 KDM4E (0.51) KMT2ANPC1RAB9AHPGDMEN1

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 15 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-10399933-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-03 US disclosed
US-10167254-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-01-01 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
US-20180079712-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL MYERS SQUIBB CO (US) 2018-03-22 US disclosed
US-20180072660-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL MYERS SQUIBB CO (US) 2018-03-15 US disclosed
US-20180072660-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL MYERS SQUIBB CO (US) 2018-03-15 US disclosed
US-9790169-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-17 US disclosed
US-9790169-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-17 US disclosed
US-20170231999-A1 IDO INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-08-17 US disclosed
US-20170231999-A1 IDO INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-08-17 US disclosed
WO-2016161279-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-06 WO disclosed
WO-2016161286-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-06 WO disclosed
WO-2016161269-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-06 WO disclosed
US-20160289171-A1 IDO INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2016-10-06 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 (7 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-10167254-B2 IDO inhibitors IDO1, IDO2, INMT KMT2A 461/4885SMN1; SMN2 4280/4885NPC1 2825/4885
US-20170231999-A1 IDO INHIBITORS IDO1, IDO2, INMT KMT2A 461/4885SMN1; SMN2 4280/4885NPC1 2825/4885
US-10399932-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT KMT2A 400/4885SMN1; SMN2 4521/4885NPC1 2350/4885
US-20180072660-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT KMT2A 400/4885SMN1; SMN2 4521/4885NPC1 2350/4885
US-10399933-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT KMT2A 400/4885SMN1; SMN2 4521/4885NPC1 2350/4885
US-20160289171-A1 IDO INHIBITORS IDO1, IDO2, INMT KMT2A 461/4885SMN1; SMN2 4280/4885NPC1 2825/4885
US-20180079712-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT KMT2A 400/4885SMN1; SMN2 4521/4885NPC1 2350/4885

“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.