SCHEMBL19965706

SCHEMBL19965706

CCCCCCCC(CCCCCC)C(=O)Nc1cc(C)on1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
TSHR P16473 2/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
LMNA P02545 1/20 0.49
ALDH1A1 P00352 1/20 0.49
EGFR P00533 1/20 0.49
GAA P10253 1/20 0.49
TP53 P04637 1/20 0.48
MAPT P10636 2/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL19965732 1.00 KLK7 (0.53) KLK7SMN1; SMN2TSHRNPC1RAB9A
SCHEMBL19464676 0.97 KLK7 (0.51) KLK7SMN1; SMN2TSHRNPC1RAB9A
SCHEMBL13329126 0.88 SMN1; SMN2 (0.56) KLK7SMN1; SMN2TSHRNPC1RAB9A
SCHEMBL19987484 0.88 KLK7 (0.52) KLK7SMN1; SMN2TSHRNPC1RAB9A
SCHEMBL11861774 0.86 KLK7 (0.51) KLK7SMN1; SMN2TSHRNPC1RAB9A
SCHEMBL19197577 0.80 ALDH1A1 (0.50) SMN1; SMN2TSHRKMT2ALMNAALDH1A1
SCHEMBL19464611 0.78 KLK7 (0.55) KLK7SMN1; SMN2TSHRNPC1RAB9A
SCHEMBL19987440 0.75 ALDH1A1 (0.64) SMN1; SMN2NPC1RAB9ALMNAALDH1A1
SCHEMBL13390942 0.74 RAB9A (0.68) KLK7SMN1; SMN2TSHRNPC1RAB9A
SCHEMBL10255794 0.71 NPSR1 (0.68) KLK7SMN1; SMN2NPC1RAB9ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
US-20180072660-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL MYERS SQUIBB CO (US) 2018-03-15 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 (4 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 KLK7 3345/4885SMN1; SMN2 4521/4885TSHR 3618/4885
US-20180072660-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT KLK7 3345/4885SMN1; SMN2 4521/4885TSHR 3618/4885
US-10399933-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT KLK7 3345/4885SMN1; SMN2 4521/4885TSHR 3618/4885
US-20180079712-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT KLK7 3345/4885SMN1; SMN2 4521/4885TSHR 3618/4885

“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.