SCHEMBL20989266

SCHEMBL20989266

O=C(NCC(F)(F)F)C1CCN(C(=O)COc2ccc3ccccc3c2)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.60
RAB9A P51151 2/20 0.60
NPC1 O15118 1/20 0.60
ALDH1A1 P00352 5/20 0.55
GPR183 P32249 1/20 0.55
MAPT P10636 2/20 0.52
LMNA P02545 2/20 0.52
GAA P10253 2/20 0.52
ALOX15 P16050 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TP53 P04637 2/20 0.50
GLA P06280 1/20 0.50
POLB P06746 1/20 0.50
USP2 O75604 1/20 0.50
PDK2 Q15119 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 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
SCHEMBL20989077 0.88 MEN1 (0.58) RAB9ANPC1ALDH1A1MAPTLMNA
SCHEMBL20989103 0.85 GPR183 (0.64) HPGDRAB9ANPC1ALDH1A1GPR183
SCHEMBL2831262 0.75 NPC1 (0.76) HPGDRAB9ANPC1ALDH1A1GPR183
Trifluoroacetic Acid SCHEMBL18129136 0.73 GPR183 (0.65) HPGDRAB9ANPC1ALDH1A1GPR183
SCHEMBL20989309 0.73 GPR183 (0.65) RAB9AALDH1A1GPR183MAPTSMN1; SMN2
SCHEMBL1374133 0.73 NPC1 (0.77) HPGDRAB9ANPC1ALDH1A1GPR183
SCHEMBL4384365 0.73 SMN1; SMN2 (0.74) HPGDRAB9ANPC1ALDH1A1GPR183
SCHEMBL20988927 0.73 POLB (0.66) NPC1ALDH1A1LMNAKMT2APOLB
SCHEMBL5370951 0.72 HPGD (0.57) HPGDRAB9ANPC1ALDH1A1GPR183
SCHEMBL4381637 0.72 SMN1; SMN2 (0.73) HPGDRAB9ANPC1ALDH1A1GPR183

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190134056-A1 K-RAS MUTATIONS AND ANTAGONISTS THE TRUSTEES OF THE STEVENS INSTITUTE OF TECHNOLOG (US) 2019-05-09 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 (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-20190134056-A1 K-RAS MUTATIONS AND ANTAGONISTS KRAS, NRAS, HRAS HPGD 2600/4885RAB9A 146/4885NPC1 3960/4885

“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.