SCHEMBL21993276

SCHEMBL21993276

O=c1nc2n(c3ccccc13)CC/C2=C/c1ccc(-c2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMARCA4 P51532 6/20 0.64
▸ PBRM1 Q86U86 4/20 0.64
▸ HPGD P15428 2/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ CCR3 P51677 1/20 0.47
▸ ALOX5 P09917 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL21992960 0.87 SMARCA4 (0.60) SMARCA4PBRM1HPGDMEN1KMT2A
SCHEMBL21993284 0.85 SMARCA4 (0.61) SMARCA4PBRM1HPGDMEN1KMT2A
SCHEMBL21992771 0.85 PBRM1 (0.64) SMARCA4PBRM1HPGDNPC1RAB9A
SCHEMBL21992767 0.85 CCR3 (0.63) SMARCA4PBRM1MAPTNPC1RAB9A
SCHEMBL21993759 0.85 SMARCA4 (0.61) SMARCA4PBRM1HPGDMEN1KMT2A
SCHEMBL21992747 0.83 SMARCA4 (0.58) SMARCA4PBRM1HPGDNPC1RAB9A
SCHEMBL21931884 0.82 SMARCA4 (0.60) SMARCA4PBRM1HPGDMEN1KMT2A
SCHEMBL21931879 0.82 SMARCA4 (0.60) SMARCA4PBRM1HPGDMEN1KMT2A
SCHEMBL21993751 0.82 SMARCA4 (0.60) SMARCA4PBRM1HPGDMEN1KMT2A
SCHEMBL21992772 0.82 PBRM1 (0.60) SMARCA4PBRM1HPGDMEN1KMT2A

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-11583530-B2 Compounds for the prevention and treatment of medical disorders and uses thereof GALECTIN SCIENCES, LLC (US) 2023-02-21 — — US disclosed
US-20200147088-A1 Compounds for the Prevention and Treatment of Medical Disorders and Uses Thereof GALECTIN SCIENCES, LLC 2020-05-14 — — 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 (2 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-20200147088-A1 Compounds for the Prevention and Treatment of Medical Disorders and Uses Thereof LGALS1, LGALS2, LGALS3 SMARCA4 4569/4885PBRM1 4399/4885HPGD 881/4885
US-11583530-B2 Compounds for the prevention and treatment of medical disorders and uses thereof LGALS1, LGALS2, LGALS3 SMARCA4 4569/4885PBRM1 4399/4885HPGD 881/4885

“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.

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