SCHEMBL18132310

SCHEMBL18132310

O=C(NCCc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cc3c(cc1Br)OCO3)N2)Nc1cccc(I)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.59
RAB9A P51151 4/20 0.59
GPER1 Q99527 3/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
GPR183 P32249 1/20 0.59
MAPT P10636 4/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
LMNA P02545 2/20 0.54
POLB P06746 1/20 0.54
HTT P42858 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
TDP1 Q9NUW8 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.43
GRK6 P43250 1/20 0.39
ROCK2 O75116 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HSPA1A P0DMV8 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
SCHEMBL24203419 0.92 NPC1 (0.61) NPC1RAB9AGPER1L3MBTL1GPR183
SCHEMBL12722689 0.81 GPER1 (0.60) NPC1RAB9AGPER1L3MBTL1GPR183
SCHEMBL916068 0.81 GPER1 (0.62) NPC1RAB9AGPER1L3MBTL1GPR183
SCHEMBL916308 0.81 GPER1 (0.60) NPC1RAB9AGPER1L3MBTL1GPR183
SCHEMBL12942704 0.79 GPER1 (0.57) NPC1RAB9AGPER1L3MBTL1GPR183
SCHEMBL15107072 0.78 GPER1 (0.58) NPC1RAB9AGPER1L3MBTL1GPR183
SCHEMBL12700925 0.78 MAPT (0.71) NPC1RAB9AGPER1L3MBTL1GPR183
SCHEMBL916446 0.78 MAPT (0.70) NPC1RAB9AGPER1L3MBTL1GPR183
SCHEMBL12700906 0.78 MAPT (0.78) NPC1RAB9AGPER1L3MBTL1GPR183
SCHEMBL12722304 0.77 GPER1 (0.54) NPC1RAB9AGPER1L3MBTL1GPR183

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11987576-B2 Compositions and methods for decreasing, or preventing or reversing gain of, skin pigmentation in a mammalian subject THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2024-05-21 US disclosed
US-11236074-B2 Compositions and methods for decreasing, or preventing or reversing gain of, skin pigmentation in a mammalian subject THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2022-02-01 US disclosed
US-20220017497-A1 COMPOSITIONS AND METHODS FOR DECREASING, OR PREVENTING OR REVERSING GAIN OF, SKIN PIGMENTATION IN A MAMMALIAN SUBJECT UNIV PENNSYLVANIA (US) 2022-01-20 US disclosed
US-20180354935-A1 COMPOSITIONS AND METHODS FOR DECREASING, OR PREVENTING OR REVERSING GAIN OF, SKIN PIGMENTATION IN A MAMMALIAN SUBJECT UNIV PENNSYLVANIA (US) 2018-12-13 US disclosed
EP-3280410-A2 COMPOSITIONS AND METHODS FOR DECREASING, OR PREVENTING OR REVERSING GAIN OF, SKIN PIGMENTATION IN A MAMMALIAN SUBJECT The Trustees Of The University Of Pennsylvania (US) 2018-02-14 EP disclosed
WO-2016164460-A2 COMPOSITIONS AND METHODS FOR DECREASING, OR PREVENTING OR REVERSING GAIN OF, SKIN PIGMENTATION IN A MAMMALIAN SUBJECT THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2016-10-13 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 (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-20180354935-A1 COMPOSITIONS AND METHODS FOR DECREASING, OR PREVENTING OR REVERSING GAIN OF, SKIN PIGMENTATION IN A MAMMALIAN SUBJECT MC1R, GPER1, NR2E3 NPC1 2127/4885RAB9A 3763/4885GPER1 2/4885
US-11987576-B2 Compositions and methods for decreasing, or preventing or reversing gain of, skin pigmentation in a mammalian subject MC1R, GPER1, NR2E3 NPC1 2127/4885RAB9A 3763/4885GPER1 2/4885
US-11236074-B2 Compositions and methods for decreasing, or preventing or reversing gain of, skin pigmentation in a mammalian subject MC1R, GPER1, NR2E3 NPC1 2127/4885RAB9A 3763/4885GPER1 2/4885
US-20220017497-A1 COMPOSITIONS AND METHODS FOR DECREASING, OR PREVENTING OR REVERSING GAIN OF, SKIN PIGMENTATION IN A MAMMALIAN SUBJECT MC1R, GPER1, NR2E3 NPC1 2127/4885RAB9A 3763/4885GPER1 2/4885

“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.