SCHEMBL18026697

SCHEMBL18026697

COc1ccc(NC(=O)C(C)C)c(F)c1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.63
RAB9A P51151 6/20 0.56
NPC1 O15118 4/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
GAA P10253 3/20 0.55
KMT2A Q03164 4/20 0.53
MTNR1B P49286 2/20 0.52
MEN1 O00255 3/20 0.52
MAPT P10636 1/20 0.49
ATAD2 Q6PL18 1/20 0.49
LMNA P02545 1/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ADORA3 P0DMS8 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
SCHEMBL19232010 0.85 POLB (0.57) POLBRAB9ANPC1SMN1; SMN2GAA
SCHEMBL13390943 0.83 ALDH1A1 (0.67) RAB9ANPC1SMN1; SMN2GAAKMT2A
SCHEMBL2095013 0.82 RAB9A (0.58) POLBRAB9ANPC1SMN1; SMN2GAA
SCHEMBL8320072 0.82 RAB9A (0.57) POLBRAB9ANPC1SMN1; SMN2GAA
SCHEMBL2095011 0.82 RAB9A (0.57) POLBRAB9ANPC1SMN1; SMN2GAA
SCHEMBL14241627 0.81 HTT (0.56) POLBRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL19987533 0.81 RAB9A (0.56) POLBRAB9ANPC1SMN1; SMN2GAA
SCHEMBL12780368 0.80 RECQL (0.61) POLBRAB9ANPC1SMN1; SMN2GAA
SCHEMBL14254863 0.79 KMT2A (0.68) POLBSMN1; SMN2GAAKMT2AMEN1
SCHEMBL16942607 0.79 RAB9A (0.70) POLBRAB9ANPC1SMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023063751-A1 COMPOUNDS INHIBITING ALK AND/OR EGFR MUTATION KINASES AND MEDICAL USE THEREOF 제이투에이치바이오텍 주식회사 2023-04-20 WO disclosed
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-2016161269-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
US-20160289171-A1 IDO INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2016-10-06 US disclosed
US-20160257641-A1 NOVEL ALKYLENE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2016-09-08 US disclosed
US-20160257641-A1 NOVEL ALKYLENE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2016-09-08 US disclosed
EP-3059225-A1 NOVEL ALKYLENE DERIVATIVE Shionogi & Co., Ltd. (JP) 2016-08-24 EP 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 (8 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 POLB 1400/4885RAB9A 3625/4885NPC1 2825/4885
US-20170231999-A1 IDO INHIBITORS IDO1, IDO2, INMT POLB 1400/4885RAB9A 3625/4885NPC1 2825/4885
US-10399932-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT POLB 1679/4885RAB9A 3832/4885NPC1 2350/4885
US-20180072660-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT POLB 1679/4885RAB9A 3832/4885NPC1 2350/4885
US-10399933-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT POLB 1679/4885RAB9A 3832/4885NPC1 2350/4885
US-20160289171-A1 IDO INHIBITORS IDO1, IDO2, INMT POLB 1400/4885RAB9A 3625/4885NPC1 2825/4885
US-20160257641-A1 NOVEL ALKYLENE DERIVATIVES ACSS2, ACACB, ADCY2 POLB 3081/4885RAB9A 3957/4885NPC1 1312/4885
US-20180079712-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT POLB 1679/4885RAB9A 3832/4885NPC1 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.