SCHEMBL17209555

SCHEMBL17209555

O=C(NC1CCCCCCC1)c1cc2cc(Cl)ccc2o1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 7/20 0.73
▸ NPC1 O15118 6/20 0.73
▸ ALDH1A1 P00352 2/20 0.57
▸ HPGD P15428 2/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ KDM4E B2RXH2 1/20 0.57
▸ NR1I2 O75469 1/20 0.57
▸ AHR P35869 1/20 0.57
▸ HTT P42858 1/20 0.57
▸ L3MBTL1 Q9Y468 3/20 0.56
▸ ATF4 P18848 1/20 0.52
▸ F12 P00748 1/20 0.52
▸ CNR1 P21554 1/20 0.51
▸ HDAC3 O15379 1/20 0.50
▸ HDAC4 P56524 1/20 0.50
▸ HDAC1 Q13547 1/20 0.50
▸ HDAC7 Q8WUI4 1/20 0.50
▸ HDAC2 Q92769 1/20 0.50
▸ HDAC10 Q969S8 1/20 0.50
▸ HDAC11 Q96DB2 1/20 0.50

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
SCHEMBL24225638 1.00 RAB9A (0.73) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL21050136 0.88 RAB9A (0.58) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL30578714 0.88 RAB9A (0.58) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL24225649 0.88 RAB9A (0.58) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL30578689 0.88 RAB9A (0.58) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL30578688 0.87 RAB9A (0.57) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL21062361 0.87 RAB9A (0.57) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL24997328 0.86 RAB9A (0.56) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL21819771 0.86 ATF4 (0.57) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL24998315 0.86 RAB9A (0.56) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170044100-A1 INHIBITORS OF DRUG-RESISTANT MYCOBACTERIUM TUBERCULOSIS UNIV JOHNS HOPKINS (US) 2017-02-16 — — US disclosed
US-20170044100-A1 INHIBITORS OF DRUG-RESISTANT MYCOBACTERIUM TUBERCULOSIS UNIV JOHNS HOPKINS (US) 2017-02-16 — — US disclosed
US-20170044100-A1 INHIBITORS OF DRUG-RESISTANT MYCOBACTERIUM TUBERCULOSIS UNIV JOHNS HOPKINS (US) 2017-02-16 — — US disclosed
WO-2016171743-A1 INHIBITORS OF DRUG-RESISTANT MYCOBACTERIUM TUBERCULOSIS THE JOHNS HOPKINS UNIVERSITY (US) 2016-10-27 — — WO disclosed
WO-2015164482-A1 INHIBITORS OF DRUG-RESISTANT MYCOBACTERIUM TUBERCULOSIS THE JOHNS HOPKINS UNIVERSITY (US) 2015-10-29 — — WO 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 (1 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-20170044100-A1 INHIBITORS OF DRUG-RESISTANT MYCOBACTERIUM TUBERCULOSIS IDO2, IDO1, INMT RAB9A 3348/4885NPC1 2930/4885ALDH1A1 1292/4885

“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.

Send feedback