SCHEMBL22589301

SCHEMBL22589301

O=C(Cc1ccncc1Br)c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.47
▸ PTPN1 P18031 1/20 0.46
▸ LTA4H P09960 1/20 0.45
▸ NPC1 O15118 2/20 0.42
▸ LMNA P02545 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ CYP11B1 P15538 1/20 0.39
▸ CYP11B2 P19099 1/20 0.39
▸ HTR7 P34969 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TAAR1 Q96RJ0 1/20 0.38
▸ PLOD2 O00469 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ PDE4A P27815 1/20 0.37

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
SCHEMBL9932456 0.84 RAB9A (0.49) RAB9APTPN1LTA4HNPC1LMNA
SCHEMBL1121619 0.78 ALDH1A1 (0.52) RAB9APTPN1NPC1HTR7MEN1
SCHEMBL27904192 0.75 NAPRT (0.47) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL2645324 0.74 LTA4H (0.58) RAB9APTPN1LTA4HNPC1HTR7
SCHEMBL30416407 0.74 CCNC (0.47) MEN1KMT2AALDH1A1MAPTL3MBTL1
Hydrochloric Acid SCHEMBL5253545 0.72 LTA4H (0.56) RAB9APTPN1LTA4HNPC1HTR7
SCHEMBL10906842 0.72 RAB9A (0.65) RAB9APTPN1LTA4HNPC1CYP11B1
SCHEMBL6282620 0.72 GAA (0.57) RAB9ALMNAPOLBCYP11B1CYP11B2
SCHEMBL1993655 0.70 L3MBTL1 (0.58) RAB9APTPN1LTA4HNPC1LMNA
SCHEMBL20517285 0.70 CCNC (0.41) RAB9ANPC1CYP11B1CYP11B2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220227735-A1 THERAPEUTIC METHODS AND COMPOUNDS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2022-07-21 — — US disclosed
WO-2020219591-A1 THERAPEUTIC METHODS AND COMPOUNDS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2020-10-29 — — 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-20220227735-A1 THERAPEUTIC METHODS AND COMPOUNDS REN, FURIN, QTRT1 RAB9A 259/4885PTPN1 3471/4885LTA4H 3380/4885

“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